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

C17H24N8O2 — CID 138495211

IUPAC4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCC(=O)N1CCC(CNc2nc(Nc3cnn(C)c3)ncc2C(N)=O)CC1
InChIInChI=1S/C17H24N8O2/c1-11(26)25-5-3-12(4-6-25)7-19-16-14(15(18)27)9-20-17(23-16)22-13-8-21-24(2)10-13/h8-10,12H,3-7H2,1-2H3,(H2,18,27)(H2,19,20,22,23)
InChIKeyJUDXRTULGXXLOX-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.72
Rot. Bonds6

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

4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 138495211) has the molecular formula C17H24N8O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID138495211
Molecular FormulaC17H24N8O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCC(=O)N1CCC(CNc2nc(Nc3cnn(C)c3)ncc2C(N)=O)CC1
InChIInChI=1S/C17H24N8O2/c1-11(26)25-5-3-12(4-6-25)7-19-16-14(15(18)27)9-20-17(23-16)22-13-8-21-24(2)10-13/h8-10,12H,3-7H2,1-2H3,(H2,18,27)(H2,19,20,22,23)
InChIKeyJUDXRTULGXXLOX-UHFFFAOYSA-N
XLogP0.72
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 138495211) is 4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is CC(=O)N1CCC(CNc2nc(Nc3cnn(C)c3)ncc2C(N)=O)CC1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is JUDXRTULGXXLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O2/c1-11(26)25-5-3-12(4-6-25)7-19-16-14(15(18)27)9-20-17(23-16)22-13-8-21-24(2)10-13/h8-10,12H,3-7H2,1-2H3,(H2,18,27)(H2,19,20,22,23).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 138495211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).