2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide

C18H24N4O — CID 109264001

IUPAC2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)N(CC)c2ccccc2)cn1
InChIInChI=1S/C18H24N4O/c1-4-6-12-21(3)18-19-13-15(14-20-18)17(23)22(5-2)16-10-8-7-9-11-16/h7-11,13-14H,4-6,12H2,1-3H3
InChIKeyMKQLNUSOFDNGBV-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.38
Rot. Bonds7

About 2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide

2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109264001) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109264001
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)N(CC)c2ccccc2)cn1
InChIInChI=1S/C18H24N4O/c1-4-6-12-21(3)18-19-13-15(14-20-18)17(23)22(5-2)16-10-8-7-9-11-16/h7-11,13-14H,4-6,12H2,1-3H3
InChIKeyMKQLNUSOFDNGBV-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 82283844
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109267707
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109264652
2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109256785
2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264971
6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109153781
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide (CID 109264001) is 2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide is CCCCN(C)c1ncc(C(=O)N(CC)c2ccccc2)cn1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is MKQLNUSOFDNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-6-12-21(3)18-19-13-15(14-20-18)17(23)22(5-2)16-10-8-7-9-11-16/h7-11,13-14H,4-6,12H2,1-3H3.
What are the key properties of 2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide?
2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109264001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).