2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide

C18H24N4O2 — CID 95217140

IUPAC2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccc([C@@H](C)N(C)C(=O)c2cc(C(C)C)nc(N)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-11(2)15-10-16(21-18(19)20-15)17(23)22(4)12(3)13-6-8-14(24-5)9-7-13/h6-12H,1-5H3,(H2,19,20,21)/t12-/m1/s1
InChIKeyKMIVABBZXXSGPC-GFCCVEGCSA-N
MW328.42 g/mol
LogP3.02
Rot. Bonds5

About 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide

2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 95217140) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID95217140
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccc([C@@H](C)N(C)C(=O)c2cc(C(C)C)nc(N)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-11(2)15-10-16(21-18(19)20-15)17(23)22(4)12(3)13-6-8-14(24-5)9-7-13/h6-12H,1-5H3,(H2,19,20,21)/t12-/m1/s1
InChIKeyKMIVABBZXXSGPC-GFCCVEGCSA-N
XLogP3.02
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120620042
2-amino-5-methoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 61112703
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 75493520
2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 86921719
N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 46677441
3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75869929
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 71937920
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 119704697
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 42944993
2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide
CID 18102328
6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874208

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide (CID 95217140) is 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide is COc1ccc([C@@H](C)N(C)C(=O)c2cc(C(C)C)nc(N)n2)cc1.
What is the InChIKey of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is KMIVABBZXXSGPC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)15-10-16(21-18(19)20-15)17(23)22(4)12(3)13-6-8-14(24-5)9-7-13/h6-12H,1-5H3,(H2,19,20,21)/t12-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide?
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 95217140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).