6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide

C12H14N6O — CID 155965703

IUPAC6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(NCc2[nH]ncc2C2CC2)ncn1
InChIInChI=1S/C12H14N6O/c13-12(19)9-3-11(16-6-15-9)14-5-10-8(4-17-18-10)7-1-2-7/h3-4,6-7H,1-2,5H2,(H2,13,19)(H,17,18)(H,14,15,16)
InChIKeyCHLMCEAOPMJNBX-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.79
Rot. Bonds5

About 6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide

6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide (PubChem CID 155965703) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide
PubChem CID155965703
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(NCc2[nH]ncc2C2CC2)ncn1
InChIInChI=1S/C12H14N6O/c13-12(19)9-3-11(16-6-15-9)14-5-10-8(4-17-18-10)7-1-2-7/h3-4,6-7H,1-2,5H2,(H2,13,19)(H,17,18)(H,14,15,16)
InChIKeyCHLMCEAOPMJNBX-UHFFFAOYSA-N
XLogP0.79
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
CID 166431958
2-(4-cyclobutyl-1H-pyrazol-5-yl)acetic acid
CID 105422745
2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid
CID 105423374
6-[[3-(propanoylamino)phenyl]methylamino]pyrimidine-4-carboxamide
CID 154795861
6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
CID 167761700
6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 175892409
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341642
1-[5-[(2-cyclopropylphenyl)methylamino]-1H-pyrazol-4-yl]ethanone
CID 166058214
(4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone
CID 109338249
N-cyclopentyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109341395
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343536
(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109350170

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide (CID 155965703) is 6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide is NC(=O)c1cc(NCc2[nH]ncc2C2CC2)ncn1.
What is the InChIKey of 6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is CHLMCEAOPMJNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c13-12(19)9-3-11(16-6-15-9)14-5-10-8(4-17-18-10)7-1-2-7/h3-4,6-7H,1-2,5H2,(H2,13,19)(H,17,18)(H,14,15,16).
What are the key properties of 6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide?
6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 155965703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).