(2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

C15H25N5O2 — CID 95723879

IUPAC(2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CN(C)c1nc(C(C)(C)C)nc2c1cnn2C
InChIInChI=1S/C15H25N5O2/c1-15(2,3)14-17-12(19(4)8-10(21)9-22-6)11-7-16-20(5)13(11)18-14/h7,10,21H,8-9H2,1-6H3/t10-/m1/s1
InChIKeyODLJTJOSMAVARP-SNVBAGLBSA-N
MW307.40 g/mol
LogP1.10
Rot. Bonds5

About (2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

(2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 95723879) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID95723879
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CN(C)c1nc(C(C)(C)C)nc2c1cnn2C
InChIInChI=1S/C15H25N5O2/c1-15(2,3)14-17-12(19(4)8-10(21)9-22-6)11-7-16-20(5)13(11)18-14/h7,10,21H,8-9H2,1-6H3/t10-/m1/s1
InChIKeyODLJTJOSMAVARP-SNVBAGLBSA-N
XLogP1.10
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80995833
6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 56900692
6-tert-butyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56894827
(2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 95729205
(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95136191
1-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-2-ol
CID 103875645
1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 103326416
4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
CID 56890005
(2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
CID 95713086
(1S)-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 95728731
6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56886002
1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80711299

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (CID 95723879) is (2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is COC[C@H](O)CN(C)c1nc(C(C)(C)C)nc2c1cnn2C.
What is the InChIKey of (2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is ODLJTJOSMAVARP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-15(2,3)14-17-12(19(4)8-10(21)9-22-6)11-7-16-20(5)13(11)18-14/h7,10,21H,8-9H2,1-6H3/t10-/m1/s1.
What are the key properties of (2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
(2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 307.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 95723879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).