2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide

C18H24N4O — CID 109246544

IUPAC2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C18H24N4O/c1-4-10-19-17(23)16-11-20-18(21-12-16)22(14(2)3)13-15-8-6-5-7-9-15/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,19,23)
InChIKeyBCPBDXUHURJSKE-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.03
Rot. Bonds7

About 2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide

2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide (PubChem CID 109246544) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
PubChem CID109246544
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C18H24N4O/c1-4-10-19-17(23)16-11-20-18(21-12-16)22(14(2)3)13-15-8-6-5-7-9-15/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,19,23)
InChIKeyBCPBDXUHURJSKE-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257599
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-4-carboxamide
CID 109294999
2-[benzyl(propan-2-yl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109263371
[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249970
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
6-N-benzyl-6-N-propan-2-yl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093496
2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248842
2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167699
2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256352

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide (CID 109246544) is 2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(N(Cc2ccccc2)C(C)C)nc1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide?
The InChIKey is BCPBDXUHURJSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-10-19-17(23)16-11-20-18(21-12-16)22(14(2)3)13-15-8-6-5-7-9-15/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,19,23).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide?
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).