2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide

C17H25N5O — CID 50954229

IUPAC2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)nc(C)n1
InChIInChI=1S/C17H25N5O/c1-10(2)22(9-15-12(4)20-21(7)13(15)5)17(23)16-8-11(3)18-14(6)19-16/h8,10H,9H2,1-7H3
InChIKeyQCOMUHAXZVGINX-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.49
Rot. Bonds4

About 2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide

2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 50954229) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide
PubChem CID50954229
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)nc(C)n1
InChIInChI=1S/C17H25N5O/c1-10(2)22(9-15-12(4)20-21(7)13(15)5)17(23)16-8-11(3)18-14(6)19-16/h8,10H,9H2,1-7H3
InChIKeyQCOMUHAXZVGINX-UHFFFAOYSA-N
XLogP2.49
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 28099779
2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
CID 28785555
6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide
CID 46974832
N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50974143
(2-Methylpyrimidin-4-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53568140
6-methyl-2-(morpholin-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrimidine-4-carboxamide
CID 56731236
6-methyl-2-(pyrrolidin-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrimidine-4-carboxamide
CID 60182029
2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide
CID 71688915
2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-4-carboxamide
CID 71689406
(1,5-Dimethylpyrazol-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72143021
(2-Methylpyrimidin-4-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143539

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide (CID 50954229) is 2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is QCOMUHAXZVGINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-10(2)22(9-15-12(4)20-21(7)13(15)5)17(23)16-8-11(3)18-14(6)19-16/h8,10H,9H2,1-7H3.
What are the key properties of 2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide?
2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 50954229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).