4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C18H25N7 — CID 129245006

IUPAC4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCc1c(Nc2nc(N[C@@H](C)C3CC3)c3cc[nH]c3n2)cnn1C(C)C
InChIInChI=1S/C18H25N7/c1-10(2)25-12(4)15(9-20-25)22-18-23-16-14(7-8-19-16)17(24-18)21-11(3)13-5-6-13/h7-11,13H,5-6H2,1-4H3,(H3,19,21,22,23,24)/t11-/m0/s1
InChIKeyIZANPLJKEFJVLY-NSHDSACASA-N
MW339.45 g/mol
LogP4.00
Rot. Bonds6

About 4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 129245006) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID129245006
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCc1c(Nc2nc(N[C@@H](C)C3CC3)c3cc[nH]c3n2)cnn1C(C)C
InChIInChI=1S/C18H25N7/c1-10(2)25-12(4)15(9-20-25)22-18-23-16-14(7-8-19-16)17(24-18)21-11(3)13-5-6-13/h7-11,13H,5-6H2,1-4H3,(H3,19,21,22,23,24)/t11-/m0/s1
InChIKeyIZANPLJKEFJVLY-NSHDSACASA-N
XLogP4.00
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[(1S)-1-cyclopropylethyl]-7-(4-methylphenyl)sulfonyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;sulfane
CID 162122496
4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129266633
4-N-[(1R)-1-cyclopropylethyl]-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129266631
2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129244964
4-N-[(1S)-1-cyclopropylethyl]-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129244987
4-N-(1-cyclopropylethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129244990
2-[4-[[4-[[(1R)-1-cyclopropylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]triazol-1-yl]acetic acid
CID 129266638
2-[amino-[(E)-2-amino-2-[[4-(1-cyclopropylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]ethenyl]amino]propan-1-ol
CID 145336714
6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine
CID 129244980
2-N-[1-[(5S)-5-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]-5-cyclopropylpentan-2-yl]-5-methylpyrazol-3-yl]-6-N-[(1S)-1-cyclopropylethyl]-7H-purine-2,6-diamine
CID 129275648
ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 145336730
4-N-fluoro-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 145336760

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 129245006) is 4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Cc1c(Nc2nc(N[C@@H](C)C3CC3)c3cc[nH]c3n2)cnn1C(C)C.
What is the InChIKey of 4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IZANPLJKEFJVLY-NSHDSACASA-N. The full InChI is InChI=1S/C18H25N7/c1-10(2)25-12(4)15(9-20-25)22-18-23-16-14(7-8-19-16)17(24-18)21-11(3)13-5-6-13/h7-11,13H,5-6H2,1-4H3,(H3,19,21,22,23,24)/t11-/m0/s1.
What are the key properties of 4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 339.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 129245006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).