6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

C18H24N4O2 — CID 109370431

IUPAC6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C18H24N4O2/c1-5-22(6-2)17-11-16(20-13(3)21-17)18(23)19-12-14-7-9-15(24-4)10-8-14/h7-11H,5-6,12H2,1-4H3,(H,19,23)
InChIKeyHOENLSPEDGLNCB-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.57
Rot. Bonds7

About 6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109370431) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109370431
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C18H24N4O2/c1-5-22(6-2)17-11-16(20-13(3)21-17)18(23)19-12-14-7-9-15(24-4)10-8-14/h7-11H,5-6,12H2,1-4H3,(H,19,23)
InChIKeyHOENLSPEDGLNCB-UHFFFAOYSA-N
XLogP2.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369048
6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370437
6-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370286
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372125
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
6-(diethylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109373337
4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212161
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370451
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
6-[butyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109372834
N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373325

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 109370431) is 6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)NCc2ccc(OC)cc2)nc(C)n1.
What is the InChIKey of 6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is HOENLSPEDGLNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-22(6-2)17-11-16(20-13(3)21-17)18(23)19-12-14-7-9-15(24-4)10-8-14/h7-11H,5-6,12H2,1-4H3,(H,19,23).
What are the key properties of 6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).