N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide

C17H22N4O — CID 109340595

IUPACN-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C17H22N4O/c1-4-13(2)20-16-10-15(18-12-19-16)17(22)21(3)11-14-8-6-5-7-9-14/h5-10,12-13H,4,11H2,1-3H3,(H,18,19,20)
InChIKeyCYHZMXDLIMBSCJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.96
Rot. Bonds6

About N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide

N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109340595) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
PubChem CID109340595
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C17H22N4O/c1-4-13(2)20-16-10-15(18-12-19-16)17(22)21(3)11-14-8-6-5-7-9-14/h5-10,12-13H,4,11H2,1-3H3,(H,18,19,20)
InChIKeyCYHZMXDLIMBSCJ-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603
6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109340614
N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109347942
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347263
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946
N-benzyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109348006
N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347996
N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109347893
N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109347963
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400
6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109340604
N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109362341

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide (CID 109340595) is N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)N(C)Cc2ccccc2)ncn1.
What is the InChIKey of N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is CYHZMXDLIMBSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-13(2)20-16-10-15(18-12-19-16)17(22)21(3)11-14-8-6-5-7-9-14/h5-10,12-13H,4,11H2,1-3H3,(H,18,19,20).
What are the key properties of N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide?
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109340595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).