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

C18H18N8 — CID 71611283

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ccc3[nH]ccc3n2)n1
InChIInChI=1S/C18H18N8/c1-2-11(1)15-9-17(26-25-15)23-16-6-8-20-18(24-16)21-10-12-3-4-13-14(22-12)5-7-19-13/h3-9,11,19H,1-2,10H2,(H3,20,21,23,24,25,26)
InChIKeyGRXRHIRKSUPJKF-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.31
Rot. Bonds6

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 71611283) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine
PubChem CID71611283
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ccc3[nH]ccc3n2)n1
InChIInChI=1S/C18H18N8/c1-2-11(1)15-9-17(26-25-15)23-16-6-8-20-18(24-16)21-10-12-3-4-13-14(22-12)5-7-19-13/h3-9,11,19H,1-2,10H2,(H3,20,21,23,24,25,26)
InChIKeyGRXRHIRKSUPJKF-UHFFFAOYSA-N
XLogP3.31
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine (CID 71611283) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine is c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ccc3[nH]ccc3n2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is GRXRHIRKSUPJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-2-11(1)15-9-17(26-25-15)23-16-6-8-20-18(24-16)21-10-12-3-4-13-14(22-12)5-7-19-13/h3-9,11,19H,1-2,10H2,(H3,20,21,23,24,25,26).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 346.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71611283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).