N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide

C18H24N4O2 — CID 109365071

IUPACN-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(NCCCOC)nc(C)n1
InChIInChI=1S/C18H24N4O2/c1-4-14-8-5-6-9-15(14)22-18(23)16-12-17(21-13(2)20-16)19-10-7-11-24-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeySETXRVYIAJDGNR-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.05
Rot. Bonds8

About N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide

N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109365071) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109365071
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(NCCCOC)nc(C)n1
InChIInChI=1S/C18H24N4O2/c1-4-14-8-5-6-9-15(14)22-18(23)16-12-17(21-13(2)20-16)19-10-7-11-24-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeySETXRVYIAJDGNR-UHFFFAOYSA-N
XLogP3.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364710
ethyl 2-[[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109365152
N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365139
6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362
ethyl 2-[[6-(2-methoxyethylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109364795
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846733
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365130
6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide (CID 109365071) is N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(NCCCOC)nc(C)n1.
What is the InChIKey of N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is SETXRVYIAJDGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-14-8-5-6-9-15(14)22-18(23)16-12-17(21-13(2)20-16)19-10-7-11-24-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).