2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide

C19H33N3O — CID 95782131

IUPAC2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)N(CCC(C)C)[C@H](C)CCCC(C)C)n1
InChIInChI=1S/C19H33N3O/c1-14(2)8-7-9-16(5)22(13-11-15(3)4)19(23)18-10-12-20-17(6)21-18/h10,12,14-16H,7-9,11,13H2,1-6H3/t16-/m1/s1
InChIKeyYOWCJVCFNFISLH-MRXNPFEDSA-N
MW319.49 g/mol
LogP4.49
Rot. Bonds9

About 2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide

2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide (PubChem CID 95782131) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide
PubChem CID95782131
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)N(CCC(C)C)[C@H](C)CCCC(C)C)n1
InChIInChI=1S/C19H33N3O/c1-14(2)8-7-9-16(5)22(13-11-15(3)4)19(23)18-10-12-20-17(6)21-18/h10,12,14-16H,7-9,11,13H2,1-6H3/t16-/m1/s1
InChIKeyYOWCJVCFNFISLH-MRXNPFEDSA-N
XLogP4.49
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide
CID 97313105
2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 23333319
1-(2-methylpyrimidin-4-yl)butan-1-one
CID 23333315
6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 78848576
2-methyl-4-(3-methylbutyl)pyrimidine
CID 143330492
2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109311740
ethyl 2-(2-methylpyrimidine-4-carbonyl)pentanoate
CID 83043436
ethyl 3-methyl-2-(2-methylpyrimidine-4-carbonyl)butanoate
CID 113329644
2-bromo-1-(2-methylpyrimidin-4-yl)ethanone
CID 130867076
[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124848445
6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179216
2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 115529797

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide (CID 95782131) is 2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide is Cc1nccc(C(=O)N(CCC(C)C)[C@H](C)CCCC(C)C)n1.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is YOWCJVCFNFISLH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H33N3O/c1-14(2)8-7-9-16(5)22(13-11-15(3)4)19(23)18-10-12-20-17(6)21-18/h10,12,14-16H,7-9,11,13H2,1-6H3/t16-/m1/s1.
What are the key properties of 2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide?
2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 319.49 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-N-[(2R)-6-methylheptan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 95782131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).