6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide

C21H29N5O2 — CID 112846986

IUPAC6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2ccccc2N2CCOCC2)nc(C)n1
InChIInChI=1S/C21H29N5O2/c1-4-5-10-25(3)20-15-18(22-16(2)23-20)21(27)24-17-8-6-7-9-19(17)26-11-13-28-14-12-26/h6-9,15H,4-5,10-14H2,1-3H3,(H,24,27)
InChIKeyNZDQBMBQAYUGEZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.11
Rot. Bonds7

About 6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide

6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 112846986) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
PubChem CID112846986
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2ccccc2N2CCOCC2)nc(C)n1
InChIInChI=1S/C21H29N5O2/c1-4-5-10-25(3)20-15-18(22-16(2)23-20)21(27)24-17-8-6-7-9-19(17)26-11-13-28-14-12-26/h6-9,15H,4-5,10-14H2,1-3H3,(H,24,27)
InChIKeyNZDQBMBQAYUGEZ-UHFFFAOYSA-N
XLogP3.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
[6-[butyl(methyl)amino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365564
6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846999
6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846997
6-methyl-N-(2-morpholin-4-ylphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109319018
N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109366826
N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527465
6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109368044
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
6-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109124354
N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619064

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide (CID 112846986) is 6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)Nc2ccccc2N2CCOCC2)nc(C)n1.
What is the InChIKey of 6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is NZDQBMBQAYUGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-4-5-10-25(3)20-15-18(22-16(2)23-20)21(27)24-17-8-6-7-9-19(17)26-11-13-28-14-12-26/h6-9,15H,4-5,10-14H2,1-3H3,(H,24,27).
What are the key properties of 6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).