2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide

C18H24N4O — CID 109264652

IUPAC2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)N(C)c2ccccc2)cn1
InChIInChI=1S/C18H24N4O/c1-4-11-22(12-5-2)18-19-13-15(14-20-18)17(23)21(3)16-9-7-6-8-10-16/h6-10,13-14H,4-5,11-12H2,1-3H3
InChIKeyDHOUFIOJGLBSHL-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.38
Rot. Bonds7

About 2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide

2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109264652) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109264652
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)N(C)c2ccccc2)cn1
InChIInChI=1S/C18H24N4O/c1-4-11-22(12-5-2)18-19-13-15(14-20-18)17(23)21(3)16-9-7-6-8-10-16/h6-10,13-14H,4-5,11-12H2,1-3H3
InChIKeyDHOUFIOJGLBSHL-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-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866
N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263759
2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109256785
2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264001
5-(diethylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109238902
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539
(E)-3-[2-(dipropylamino)pyrimidin-5-yl]prop-2-enoic acid
CID 113388399
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 109250908
6-(dipropylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112847480
N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109252763
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide (CID 109264652) is 2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide is CCCN(CCC)c1ncc(C(=O)N(C)c2ccccc2)cn1.
What is the InChIKey of 2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is DHOUFIOJGLBSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-11-22(12-5-2)18-19-13-15(14-20-18)17(23)21(3)16-9-7-6-8-10-16/h6-10,13-14H,4-5,11-12H2,1-3H3.
What are the key properties of 2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide?
2-(dipropylamino)-N-methyl-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-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109264652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).