N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine

C22H24N4O — CID 2842180

IUPACN-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
SMILESCCCCOc1ccc(C=NNc2nc(C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-3-4-14-27-20-12-10-18(11-13-20)16-23-26-22-24-17(2)15-21(25-22)19-8-6-5-7-9-19/h5-13,15-16H,3-4,14H2,1-2H3,(H,24,25,26)
InChIKeyHKVVIKQIZSNCAM-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.08
Rot. Bonds8

About N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine

N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine (PubChem CID 2842180) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
PubChem CID2842180
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
SMILESCCCCOc1ccc(C=NNc2nc(C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-3-4-14-27-20-12-10-18(11-13-20)16-23-26-22-24-17(2)15-21(25-22)19-8-6-5-7-9-19/h5-13,15-16H,3-4,14H2,1-2H3,(H,24,25,26)
InChIKeyHKVVIKQIZSNCAM-UHFFFAOYSA-N
XLogP5.08
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42336780
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42337314
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842200
5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110338681
2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472546
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
1-[(Z)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 136767772
N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6163671
N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842311

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The IUPAC name of N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine (CID 2842180) is N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine is CCCCOc1ccc(C=NNc2nc(C)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The InChIKey is HKVVIKQIZSNCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-4-14-27-20-12-10-18(11-13-20)16-23-26-22-24-17(2)15-21(25-22)19-8-6-5-7-9-19/h5-13,15-16H,3-4,14H2,1-2H3,(H,24,25,26).
What are the key properties of N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine has a molecular weight of 360.46 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 2842180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).