2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide

C18H24N4O — CID 54853965

IUPAC2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nc(N)nc1CCc1ccccc1
InChIInChI=1S/C18H24N4O/c1-4-22(5-2)17(23)16-13(3)20-18(19)21-15(16)12-11-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyQITJIVXYOZTXGE-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.63
Rot. Bonds6

About 2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide

2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 54853965) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID54853965
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nc(N)nc1CCc1ccccc1
InChIInChI=1S/C18H24N4O/c1-4-22(5-2)17(23)16-13(3)20-18(19)21-15(16)12-11-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyQITJIVXYOZTXGE-UHFFFAOYSA-N
XLogP2.63
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide
CID 54853672
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54854084
2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853967
2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853778
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777237
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54854046
2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54852220
3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide
CID 68915002
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 61108530

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide (CID 54853965) is 2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide is CCN(CC)C(=O)c1c(C)nc(N)nc1CCc1ccccc1.
What is the InChIKey of 2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is QITJIVXYOZTXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22(5-2)17(23)16-13(3)20-18(19)21-15(16)12-11-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide?
2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 54853965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).