2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide

C16H20N4O2 — CID 109310751

IUPAC2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C16H20N4O2/c1-4-20(5-2)16-17-10-9-14(19-16)15(21)18-12-7-6-8-13(11-12)22-3/h6-11H,4-5H2,1-3H3,(H,18,21)
InChIKeyLEQNVTGCYJOQJA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.58
Rot. Bonds6

About 2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide

2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109310751) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109310751
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C16H20N4O2/c1-4-20(5-2)16-17-10-9-14(19-16)15(21)18-12-7-6-8-13(11-12)22-3/h6-11H,4-5H2,1-3H3,(H,18,21)
InChIKeyLEQNVTGCYJOQJA-UHFFFAOYSA-N
XLogP2.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317672
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
2-N-(3-methoxyphenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077744
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109309331
N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
CID 109310804
6-N-butyl-2-N-(3-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099571
N-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306963
2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306756
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109310790

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide (CID 109310751) is 2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide is CCN(CC)c1nccc(C(=O)Nc2cccc(OC)c2)n1.
What is the InChIKey of 2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is LEQNVTGCYJOQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-20(5-2)16-17-10-9-14(19-16)15(21)18-12-7-6-8-13(11-12)22-3/h6-11H,4-5H2,1-3H3,(H,18,21).
What are the key properties of 2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109310751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).