N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide

C16H20N4O — CID 109297362

IUPACN-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-4-12(2)18-15(21)14-10-11-17-16(19-14)20(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,18,21)
InChIKeyHBYNIFLMGYSZBN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.77
Rot. Bonds5

About N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide

N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109297362) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID109297362
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-4-12(2)18-15(21)14-10-11-17-16(19-14)20(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,18,21)
InChIKeyHBYNIFLMGYSZBN-UHFFFAOYSA-N
XLogP2.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314197
N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109301923
N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852599
N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109303485
2-(N-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314201
2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109080221
2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314256
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314243
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109297170

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide (CID 109297362) is N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide is CCC(C)NC(=O)c1ccnc(N(C)c2ccccc2)n1.
What is the InChIKey of N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is HBYNIFLMGYSZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-12(2)18-15(21)14-10-11-17-16(19-14)20(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,18,21).
What are the key properties of N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide?
N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).