N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide

C16H20N4O — CID 65389183

IUPACN-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide
SMILESCCN(CC)c1cc(NC(=O)c2ccccc2)nc(C)n1
InChIInChI=1S/C16H20N4O/c1-4-20(5-2)15-11-14(17-12(3)18-15)19-16(21)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3,(H,17,18,19,21)
InChIKeyKHNANIUNOIDHDH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.88
Rot. Bonds5

About N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide

N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide (PubChem CID 65389183) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide
PubChem CID65389183
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide
SMILESCCN(CC)c1cc(NC(=O)c2ccccc2)nc(C)n1
InChIInChI=1S/C16H20N4O/c1-4-20(5-2)15-11-14(17-12(3)18-15)19-16(21)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3,(H,17,18,19,21)
InChIKeyKHNANIUNOIDHDH-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(dimethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389150
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide
CID 58205211
3-bromo-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122296946
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3,5-dimethylbenzamide
CID 122296625
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide
CID 122296595
4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122296778
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 122296604
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 122296789
3-[[6-[benzyl(ethyl)amino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193394
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]quinoline-2-carboxamide
CID 122296731

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide?
The IUPAC name of N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide (CID 65389183) is N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide?
The canonical SMILES for N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide is CCN(CC)c1cc(NC(=O)c2ccccc2)nc(C)n1.
What is the InChIKey of N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide?
The InChIKey is KHNANIUNOIDHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-20(5-2)15-11-14(17-12(3)18-15)19-16(21)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3,(H,17,18,19,21).
What are the key properties of N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide?
N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide is sourced from PubChem (CID 65389183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).