N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

C19H26N4O2 — CID 109324112

IUPACN-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C19H26N4O2/c1-13(2)15-6-8-16(9-7-15)22-19-21-14(3)12-17(23-19)18(24)20-10-5-11-25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyRYWQHRCNDDCHKM-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.42
Rot. Bonds8

About N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109324112) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109324112
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C19H26N4O2/c1-13(2)15-6-8-16(9-7-15)22-19-21-14(3)12-17(23-19)18(24)20-10-5-11-25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyRYWQHRCNDDCHKM-UHFFFAOYSA-N
XLogP3.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.42
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-(3-methoxypropyl)-6-methyl-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109324146
2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324147
2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324105
2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323755
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109330766
N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109324113
2-(2-bromoanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324165
methyl 2-[[4-(3-methoxypropylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109324151
2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324175
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324110
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
N-butyl-2-(3,4-dichloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109320778

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109324112) is N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is COCCCNC(=O)c1cc(C)nc(Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is RYWQHRCNDDCHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)15-6-8-16(9-7-15)22-19-21-14(3)12-17(23-19)18(24)20-10-5-11-25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109324112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).