2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C18H19N9 — CID 123586243

IUPAC2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESNC(Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1cc2cc[nH]c2cn1
InChIInChI=1S/C18H19N9/c19-17(13-7-11-3-5-20-14(11)9-22-13)25-18-21-6-4-15(24-18)23-16-8-12(26-27-16)10-1-2-10/h3-10,17,20H,1-2,19H2,(H3,21,23,24,25,26,27)
InChIKeyDWZPZCMFXKOZDB-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.77
Rot. Bonds6

About 2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 123586243) has the molecular formula C18H19N9 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID123586243
Molecular FormulaC18H19N9
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESNC(Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1cc2cc[nH]c2cn1
InChIInChI=1S/C18H19N9/c19-17(13-7-11-3-5-20-14(11)9-22-13)25-18-21-6-4-15(24-18)23-16-8-12(26-27-16)10-1-2-10/h3-10,17,20H,1-2,19H2,(H3,21,23,24,25,26,27)
InChIKeyDWZPZCMFXKOZDB-UHFFFAOYSA-N
XLogP2.77
TPSA133.22 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(1H-indol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 71529062
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-ethyl-2-N-[1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 78132840
2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 161194042
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine
CID 123790838
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 71058238
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;ethane;methylcyclohexane
CID 154687415
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;2-methylbutane;molecular hydrogen
CID 169155625
2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol
CID 71272621
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 171637789
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine
CID 123182853
[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
CID 175176525
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 71272228

Frequently Asked Questions

What is the IUPAC name of 2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 123586243) is 2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is NC(Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1cc2cc[nH]c2cn1.
What is the InChIKey of 2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is DWZPZCMFXKOZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9/c19-17(13-7-11-3-5-20-14(11)9-22-13)25-18-21-6-4-15(24-18)23-16-8-12(26-27-16)10-1-2-10/h3-10,17,20H,1-2,19H2,(H3,21,23,24,25,26,27).
What are the key properties of 2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 361.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 123586243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).