N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide

C18H24N4O2 — CID 109257900

IUPACN-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(NCc2ccccc2OC)nc1
InChIInChI=1S/C18H24N4O2/c1-4-5-10-22(2)17(23)15-12-20-18(21-13-15)19-11-14-8-6-7-9-16(14)24-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyQSOQZFOOSVGRSM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.97
Rot. Bonds8

About N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide

N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide (PubChem CID 109257900) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
PubChem CID109257900
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(NCc2ccccc2OC)nc1
InChIInChI=1S/C18H24N4O2/c1-4-5-10-22(2)17(23)15-12-20-18(21-13-15)19-11-14-8-6-7-9-16(14)24-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyQSOQZFOOSVGRSM-UHFFFAOYSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158752
4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047373
N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109252692
N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258703
N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide
CID 109260523
N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257290
2-[2-(2-methoxyphenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109260270
N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide
CID 109251916
N-butyl-4-[(2-methoxyphenyl)methylamino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42472593
N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263915
2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248461
N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 109156786

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide (CID 109257900) is N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc(NCc2ccccc2OC)nc1.
What is the InChIKey of N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide?
The InChIKey is QSOQZFOOSVGRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-5-10-22(2)17(23)15-12-20-18(21-13-15)19-11-14-8-6-7-9-16(14)24-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide?
N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 109257900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).