N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide

C14H16N4O2 — CID 70807881

IUPACN-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nccc(N(C)C)n2)c1
InChIInChI=1S/C14H16N4O2/c1-18(2)12-7-8-15-14(16-12)17-13(19)10-5-4-6-11(9-10)20-3/h4-9H,1-3H3,(H,15,16,17,19)
InChIKeyCMZPNVWFCHRMJF-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.80
Rot. Bonds4

About N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide

N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide (PubChem CID 70807881) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide
PubChem CID70807881
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nccc(N(C)C)n2)c1
InChIInChI=1S/C14H16N4O2/c1-18(2)12-7-8-15-14(16-12)17-13(19)10-5-4-6-11(9-10)20-3/h4-9H,1-3H3,(H,15,16,17,19)
InChIKeyCMZPNVWFCHRMJF-UHFFFAOYSA-N
XLogP1.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241566
3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986095
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide
CID 16841327
N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide
CID 86643870
N-(6-chloroquinolin-4-yl)-3-methoxybenzamide
CID 17016577
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109168403
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
CID 43549420

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide (CID 70807881) is N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2nccc(N(C)C)n2)c1.
What is the InChIKey of N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide?
The InChIKey is CMZPNVWFCHRMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18(2)12-7-8-15-14(16-12)17-13(19)10-5-4-6-11(9-10)20-3/h4-9H,1-3H3,(H,15,16,17,19).
What are the key properties of N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide?
N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide has a molecular weight of 272.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 70807881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).