4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine

C20H25N7 — CID 59757895

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine
SMILESCNCCc1ccc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C20H25N7/c1-13-11-18(24-19-12-17(26-27-19)15-5-6-15)25-20(22-13)23-16-7-3-14(4-8-16)9-10-21-2/h3-4,7-8,11-12,15,21H,5-6,9-10H2,1-2H3,(H3,22,23,24,25,26,27)
InChIKeySYZQFGCKYQFXGI-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.63
Rot. Bonds8

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine (PubChem CID 59757895) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine
PubChem CID59757895
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine
SMILESCNCCc1ccc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C20H25N7/c1-13-11-18(24-19-12-17(26-27-19)15-5-6-15)25-20(22-13)23-16-7-3-14(4-8-16)9-10-21-2/h3-4,7-8,11-12,15,21H,5-6,9-10H2,1-2H3,(H3,22,23,24,25,26,27)
InChIKeySYZQFGCKYQFXGI-UHFFFAOYSA-N
XLogP3.63
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]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)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine (CID 59757895) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine is CNCCc1ccc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine?
The InChIKey is SYZQFGCKYQFXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-13-11-18(24-19-12-17(26-27-19)15-5-6-15)25-20(22-13)23-16-7-3-14(4-8-16)9-10-21-2/h3-4,7-8,11-12,15,21H,5-6,9-10H2,1-2H3,(H3,22,23,24,25,26,27).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.63, 8 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)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59757895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).