4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C16H22N8 — CID 129266633

IUPAC4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)n1ncc(Nc2nc(N[C@H](C)C3CC3)c3cc[nH]c3n2)n1
InChIInChI=1S/C16H22N8/c1-9(2)24-18-8-13(23-24)20-16-21-14-12(6-7-17-14)15(22-16)19-10(3)11-4-5-11/h6-11H,4-5H2,1-3H3,(H3,17,19,20,21,22,23)/t10-/m1/s1
InChIKeyZHCOSXGPOVGLSF-SNVBAGLBSA-N
MW326.41 g/mol
LogP3.08
Rot. Bonds6

About 4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 129266633) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is 4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID129266633
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)n1ncc(Nc2nc(N[C@H](C)C3CC3)c3cc[nH]c3n2)n1
InChIInChI=1S/C16H22N8/c1-9(2)24-18-8-13(23-24)20-16-21-14-12(6-7-17-14)15(22-16)19-10(3)11-4-5-11/h6-11H,4-5H2,1-3H3,(H3,17,19,20,21,22,23)/t10-/m1/s1
InChIKeyZHCOSXGPOVGLSF-SNVBAGLBSA-N
XLogP3.08
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 129266633) is 4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CC(C)n1ncc(Nc2nc(N[C@H](C)C3CC3)c3cc[nH]c3n2)n1.
What is the InChIKey of 4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ZHCOSXGPOVGLSF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H22N8/c1-9(2)24-18-8-13(23-24)20-16-21-14-12(6-7-17-14)15(22-16)19-10(3)11-4-5-11/h6-11H,4-5H2,1-3H3,(H3,17,19,20,21,22,23)/t10-/m1/s1.
What are the key properties of 4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 326.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 129266633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).