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

C18H23N7 — CID 129244964

IUPAC2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc(Nc2cnn(C3CCC3)c2)nc2[nH]ccc12)C1CC1
InChIInChI=1S/C18H23N7/c1-11(12-5-6-12)21-17-15-7-8-19-16(15)23-18(24-17)22-13-9-20-25(10-13)14-3-2-4-14/h7-12,14H,2-6H2,1H3,(H3,19,21,22,23,24)/t11-/m0/s1
InChIKeyOZBDGWXXQBKKPB-NSHDSACASA-N
MW337.43 g/mol
LogP3.83
Rot. Bonds6

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

2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 129244964) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID129244964
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc(Nc2cnn(C3CCC3)c2)nc2[nH]ccc12)C1CC1
InChIInChI=1S/C18H23N7/c1-11(12-5-6-12)21-17-15-7-8-19-16(15)23-18(24-17)22-13-9-20-25(10-13)14-3-2-4-14/h7-12,14H,2-6H2,1H3,(H3,19,21,22,23,24)/t11-/m0/s1
InChIKeyOZBDGWXXQBKKPB-NSHDSACASA-N
XLogP3.83
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 129244964) is 2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is C[C@H](Nc1nc(Nc2cnn(C3CCC3)c2)nc2[nH]ccc12)C1CC1.
What is the InChIKey of 2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OZBDGWXXQBKKPB-NSHDSACASA-N. The full InChI is InChI=1S/C18H23N7/c1-11(12-5-6-12)21-17-15-7-8-19-16(15)23-18(24-17)22-13-9-20-25(10-13)14-3-2-4-14/h7-12,14H,2-6H2,1H3,(H3,19,21,22,23,24)/t11-/m0/s1.
What are the key properties of 2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 337.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 129244964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).