2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol

C26H37N5O4 — CID 91437249

IUPAC2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol
SMILESCCCOc1cc2cc(-c3c(C)nc(NCC(C)(C)C)nc3NC3CC(CO)CC3O)oc2cn1
InChIInChI=1S/C26H37N5O4/c1-6-7-34-22-11-17-10-20(35-21(17)12-27-22)23-15(2)29-25(28-14-26(3,4)5)31-24(23)30-18-8-16(13-32)9-19(18)33/h10-12,16,18-19,32-33H,6-9,13-14H2,1-5H3,(H2,28,29,30,31)
InChIKeyTWOWDAAGZQUMMJ-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.38
Rot. Bonds9

About 2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol

2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 91437249) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol
PubChem CID91437249
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol
SMILESCCCOc1cc2cc(-c3c(C)nc(NCC(C)(C)C)nc3NC3CC(CO)CC3O)oc2cn1
InChIInChI=1S/C26H37N5O4/c1-6-7-34-22-11-17-10-20(35-21(17)12-27-22)23-15(2)29-25(28-14-26(3,4)5)31-24(23)30-18-8-16(13-32)9-19(18)33/h10-12,16,18-19,32-33H,6-9,13-14H2,1-5H3,(H2,28,29,30,31)
InChIKeyTWOWDAAGZQUMMJ-UHFFFAOYSA-N
XLogP4.38
TPSA125.56 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol with MolForge

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Related Compounds

[3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143945889
[(1R,3S)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70644097
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-(2-methoxyethylamino)-6-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 58570777
(1S,2R,3R)-3-(hydroxymethyl)-5-[[6-methyl-5-(5-methylfuro[2,3-c]pyridin-2-yl)-2-(pentylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 70919396
(1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
CID 70684259
[(1S,2S,3R,4R)-4-[[2-(2-methoxyethylamino)-6-methyl-5-[5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol
CID 70919413
(1R,2S,3R,5R)-3-[[5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(4,4,4-trifluorobutylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 62707153
[3a-[[5-(5-tert-butylfuro[2,3-c]pyridin-2-yl)-2-(2,2-dimethylpropylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]methanol
CID 91534673
(1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5,7-dimethoxyfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 70643980
[(3aS,6R,6aR)-4-[[2-(2,3-dihydrofuran-5-ylmethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
CID 70644035
(1R,2R,4S)-2-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol
CID 70919477
(1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 70644122

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of 2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol (CID 91437249) is 2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for 2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol is CCCOc1cc2cc(-c3c(C)nc(NCC(C)(C)C)nc3NC3CC(CO)CC3O)oc2cn1.
What is the InChIKey of 2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is TWOWDAAGZQUMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-6-7-34-22-11-17-10-20(35-21(17)12-27-22)23-15(2)29-25(28-14-26(3,4)5)31-24(23)30-18-8-16(13-32)9-19(18)33/h10-12,16,18-19,32-33H,6-9,13-14H2,1-5H3,(H2,28,29,30,31).
What are the key properties of 2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol?
2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 483.61 g/mol, XLogP of 4.38, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2-dimethylpropylamino)-6-methyl-5-(5-propoxyfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 91437249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).