2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide

C15H22N6O — CID 131925868

IUPAC2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCc2cnn(C)c2)nc(N)n1
InChIInChI=1S/C15H22N6O/c1-10(2)12-7-13(20-15(16)19-12)14(22)17-6-4-5-11-8-18-21(3)9-11/h7-10H,4-6H2,1-3H3,(H,17,22)(H2,16,19,20)
InChIKeyVYFVKBGMUPDNMI-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.28
Rot. Bonds6

About 2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide

2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 131925868) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID131925868
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCc2cnn(C)c2)nc(N)n1
InChIInChI=1S/C15H22N6O/c1-10(2)12-7-13(20-15(16)19-12)14(22)17-6-4-5-11-8-18-21(3)9-11/h7-10H,4-6H2,1-3H3,(H,17,22)(H2,16,19,20)
InChIKeyVYFVKBGMUPDNMI-UHFFFAOYSA-N
XLogP1.28
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119184013
2-amino-5-chloro-3-fluoro-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 100678034
2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131946106
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111121182
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
3-bromo-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 52869461
1-(4-hydroxy-2,2-dimethylbutyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111505788
6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106551138
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 47445429
2-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[3-(4-propan-2-ylphenyl)propyl]guanidine
CID 111549251
5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 167818894
(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide (CID 131925868) is 2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1cc(C(=O)NCCCc2cnn(C)c2)nc(N)n1.
What is the InChIKey of 2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is VYFVKBGMUPDNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10(2)12-7-13(20-15(16)19-12)14(22)17-6-4-5-11-8-18-21(3)9-11/h7-10H,4-6H2,1-3H3,(H,17,22)(H2,16,19,20).
What are the key properties of 2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide?
2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 131925868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).