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

C18H24N4O — CID 109340603

IUPACN-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)N(CC)Cc2ccccc2)ncn1
InChIInChI=1S/C18H24N4O/c1-4-14(3)21-17-11-16(19-13-20-17)18(23)22(5-2)12-15-9-7-6-8-10-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,19,20,21)
InChIKeyXMVXAPXVSHMYCK-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.35
Rot. Bonds7

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

N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide (PubChem CID 109340603) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
PubChem CID109340603
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)N(CC)Cc2ccccc2)ncn1
InChIInChI=1S/C18H24N4O/c1-4-14(3)21-17-11-16(19-13-20-17)18(23)22(5-2)12-15-9-7-6-8-10-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,19,20,21)
InChIKeyXMVXAPXVSHMYCK-UHFFFAOYSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109362341
N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
N-benzyl-N-ethyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346785
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509
N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109349543
N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide
CID 121018154
N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349532
N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109349515
6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109340614
N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681550
6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109340604

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide (CID 109340603) is N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)N(CC)Cc2ccccc2)ncn1.
What is the InChIKey of N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide?
The InChIKey is XMVXAPXVSHMYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-14(3)21-17-11-16(19-13-20-17)18(23)22(5-2)12-15-9-7-6-8-10-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,19,20,21).
What are the key properties of N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide?
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.35, 7 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-ethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109340603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).