4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol

C19H24N6O3 — CID 143922722

IUPAC4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol
SMILESCC1(C)OC2CN(c3ccnc4[nH]cc(-c5ccnc(N)n5)c34)CC2O1.CO
InChIInChI=1S/C18H20N6O2.CH4O/c1-18(2)25-13-8-24(9-14(13)26-18)12-4-6-20-16-15(12)10(7-22-16)11-3-5-21-17(19)23-11;1-2/h3-7,13-14H,8-9H2,1-2H3,(H,20,22)(H2,19,21,23);2H,1H3
InChIKeyDGPKCFXNPLBJFU-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.55
Rot. Bonds2

About 4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol

4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol (PubChem CID 143922722) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol.

Molecular Properties

Compound Name4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol
PubChem CID143922722
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol
SMILESCC1(C)OC2CN(c3ccnc4[nH]cc(-c5ccnc(N)n5)c34)CC2O1.CO
InChIInChI=1S/C18H20N6O2.CH4O/c1-18(2)25-13-8-24(9-14(13)26-18)12-4-6-20-16-15(12)10(7-22-16)11-3-5-21-17(19)23-11;1-2/h3-7,13-14H,8-9H2,1-2H3,(H,20,22)(H2,19,21,23);2H,1H3
InChIKeyDGPKCFXNPLBJFU-UHFFFAOYSA-N
XLogP1.55
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol with MolForge

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Related Compounds

1-methyl-4-(4-morpholin-4-yl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)pyrrole-2-carbonitrile
CID 89915073
(R)-1-(1-((S)-Tetrahydro-2H-pyran-3-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)ethanol
CID 58394783
(1R)-1-[3-[(3R)-oxan-3-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol
CID 58394796
1-(2,2-diethoxyethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 122705261
(1R)-1-[3-(oxan-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol
CID 71681853
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]morpholine
CID 137634496
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-methyl-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 168275425
1-(N-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]anilino)-3-methoxypropan-2-ol
CID 57335567
[(2R)-4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol
CID 89526425
[(2S)-4-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]morpholin-2-yl]methanol
CID 89534488
4-[5-(4-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 89914747
7-[(3S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-3-yl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 155513036

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol?
The IUPAC name of 4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol (CID 143922722) is 4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol.
What is the SMILES notation for 4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol?
The canonical SMILES for 4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol is CC1(C)OC2CN(c3ccnc4[nH]cc(-c5ccnc(N)n5)c34)CC2O1.CO.
What is the InChIKey of 4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol?
The InChIKey is DGPKCFXNPLBJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2.CH4O/c1-18(2)25-13-8-24(9-14(13)26-18)12-4-6-20-16-15(12)10(7-22-16)11-3-5-21-17(19)23-11;1-2/h3-7,13-14H,8-9H2,1-2H3,(H,20,22)(H2,19,21,23);2H,1H3.
What are the key properties of 4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol?
4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol has a molecular weight of 384.44 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;methanol is sourced from PubChem (CID 143922722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).