2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide

C16H21N5O — CID 109252682

IUPAC2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C16H21N5O/c1-21(2)9-8-17-15(22)14-11-19-16(20-12-14)18-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyVNVFWBYYDVCYGH-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.38
Rot. Bonds7

About 2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide

2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide (PubChem CID 109252682) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
PubChem CID109252682
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C16H21N5O/c1-21(2)9-8-17-15(22)14-11-19-16(20-12-14)18-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyVNVFWBYYDVCYGH-UHFFFAOYSA-N
XLogP1.38
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109252692
2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109252869
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109253326
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109258095
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109252763

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide (CID 109252682) is 2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide is CN(C)CCNC(=O)c1cnc(NCc2ccccc2)nc1.
What is the InChIKey of 2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The InChIKey is VNVFWBYYDVCYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-21(2)9-8-17-15(22)14-11-19-16(20-12-14)18-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,17,22)(H,18,19,20).
What are the key properties of 2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109252682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).