4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C19H19N9O — CID 165112315

IUPAC4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCn1cc(CNc2nc(Nc3cnn(-c4ccccc4)c3)ncc2C(N)=O)cn1
InChIInChI=1S/C19H19N9O/c1-27-11-13(8-23-27)7-21-18-16(17(20)29)10-22-19(26-18)25-14-9-24-28(12-14)15-5-3-2-4-6-15/h2-6,8-12H,7H2,1H3,(H2,20,29)(H2,21,22,25,26)
InChIKeyXOKJFAFVYCPJFW-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.85
Rot. Bonds7

About 4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 165112315) has the molecular formula C19H19N9O and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID165112315
Molecular FormulaC19H19N9O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCn1cc(CNc2nc(Nc3cnn(-c4ccccc4)c3)ncc2C(N)=O)cn1
InChIInChI=1S/C19H19N9O/c1-27-11-13(8-23-27)7-21-18-16(17(20)29)10-22-19(26-18)25-14-9-24-28(12-14)15-5-3-2-4-6-15/h2-6,8-12H,7H2,1H3,(H2,20,29)(H2,21,22,25,26)
InChIKeyXOKJFAFVYCPJFW-UHFFFAOYSA-N
XLogP1.85
TPSA128.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 165112315) is 4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is Cn1cc(CNc2nc(Nc3cnn(-c4ccccc4)c3)ncc2C(N)=O)cn1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is XOKJFAFVYCPJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O/c1-27-11-13(8-23-27)7-21-18-16(17(20)29)10-22-19(26-18)25-14-9-24-28(12-14)15-5-3-2-4-6-15/h2-6,8-12H,7H2,1H3,(H2,20,29)(H2,21,22,25,26).
What are the key properties of 4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)methylamino]-2-[(1-phenylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 165112315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).