2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide

C13H22N4O — CID 54853672

IUPAC2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide
SMILESCCCc1nc(N)nc(C)c1C(=O)N(CC)CC
InChIInChI=1S/C13H22N4O/c1-5-8-10-11(9(4)15-13(14)16-10)12(18)17(6-2)7-3/h5-8H2,1-4H3,(H2,14,15,16)
InChIKeyGLZPRZYPXDVBBV-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.80
Rot. Bonds5

About 2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide

2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide (PubChem CID 54853672) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide
PubChem CID54853672
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide
SMILESCCCc1nc(N)nc(C)c1C(=O)N(CC)CC
InChIInChI=1S/C13H22N4O/c1-5-8-10-11(9(4)15-13(14)16-10)12(18)17(6-2)7-3/h5-8H2,1-4H3,(H2,14,15,16)
InChIKeyGLZPRZYPXDVBBV-UHFFFAOYSA-N
XLogP1.80
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide
CID 54853965
2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54854084
2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853778
2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853967
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
2-amino-4-(3-butoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853822
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54854046
2-amino-4-cyclopropyl-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853844
2-amino-N,N-diethyl-4-methyl-6-[1-(4-nitrophenoxy)ethyl]pyrimidine-5-carboxamide
CID 54853639
N,N,2-triethyl-6-propylbenzamide
CID 15325845

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide (CID 54853672) is 2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide is CCCc1nc(N)nc(C)c1C(=O)N(CC)CC.
What is the InChIKey of 2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide?
The InChIKey is GLZPRZYPXDVBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-8-10-11(9(4)15-13(14)16-10)12(18)17(6-2)7-3/h5-8H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide?
2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.80, 5 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-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 54853672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).