4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide

C20H22N6O — CID 122565737

IUPAC4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
SMILESCC(c1ccncn1)N(C)C(=O)c1ccc(-c2cncc(N(C)C)n2)cc1
InChIInChI=1S/C20H22N6O/c1-14(17-9-10-21-13-23-17)26(4)20(27)16-7-5-15(6-8-16)18-11-22-12-19(24-18)25(2)3/h5-14H,1-4H3
InChIKeyKKOAJLKMYBLDNP-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.83
Rot. Bonds5

About 4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide

4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide (PubChem CID 122565737) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
PubChem CID122565737
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
SMILESCC(c1ccncn1)N(C)C(=O)c1ccc(-c2cncc(N(C)C)n2)cc1
InChIInChI=1S/C20H22N6O/c1-14(17-9-10-21-13-23-17)26(4)20(27)16-7-5-15(6-8-16)18-11-22-12-19(24-18)25(2)3/h5-14H,1-4H3
InChIKeyKKOAJLKMYBLDNP-UHFFFAOYSA-N
XLogP2.83
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide
CID 126441900
3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
CID 125440550
3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 125442539
1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide
CID 70721608
6-[4-[1-(dimethylamino)ethyl]phenyl]-N,N-dimethylpyrazin-2-amine
CID 74243404
N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122568737
N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
CID 126447211
(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone
CID 122563535
5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
CID 50981802
6-(6-methoxy-3-pyridinyl)-N,N-dimethylpyrazin-2-amine
CID 56720090
N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97209998
N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide
CID 46992793

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide?
The IUPAC name of 4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide (CID 122565737) is 4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide?
The canonical SMILES for 4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide is CC(c1ccncn1)N(C)C(=O)c1ccc(-c2cncc(N(C)C)n2)cc1.
What is the InChIKey of 4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide?
The InChIKey is KKOAJLKMYBLDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14(17-9-10-21-13-23-17)26(4)20(27)16-7-5-15(6-8-16)18-11-22-12-19(24-18)25(2)3/h5-14H,1-4H3.
What are the key properties of 4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide?
4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide has a molecular weight of 362.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide is sourced from PubChem (CID 122565737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).