2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide

C19H26N4O — CID 109256785

IUPAC2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(N(C)Cc2ccccc2)nc1
InChIInChI=1S/C19H26N4O/c1-4-11-23(12-5-2)18(24)17-13-20-19(21-14-17)22(3)15-16-9-7-6-8-10-16/h6-10,13-14H,4-5,11-12,15H2,1-3H3
InChIKeyMPNSDPCPOLMYHD-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.38
Rot. Bonds8

About 2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide

2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide (PubChem CID 109256785) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide
PubChem CID109256785
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(N(C)Cc2ccccc2)nc1
InChIInChI=1S/C19H26N4O/c1-4-11-23(12-5-2)18(24)17-13-20-19(21-14-17)22(3)15-16-9-7-6-8-10-16/h6-10,13-14H,4-5,11-12,15H2,1-3H3
InChIKeyMPNSDPCPOLMYHD-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248842
2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109264652
2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109256748
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide
CID 109239734
2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264001
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109256784
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
CID 109305008

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide (CID 109256785) is 2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide is CCCN(CCC)C(=O)c1cnc(N(C)Cc2ccccc2)nc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide?
The InChIKey is MPNSDPCPOLMYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-11-23(12-5-2)18(24)17-13-20-19(21-14-17)22(3)15-16-9-7-6-8-10-16/h6-10,13-14H,4-5,11-12,15H2,1-3H3.
What are the key properties of 2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide?
2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide is sourced from PubChem (CID 109256785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).