(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine

C13H16ClN3O — CID 10316198

IUPAC(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine
SMILESCN1CN=C/C(=C\NOCc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClN3O/c1-17-8-12(6-15-10-17)7-16-18-9-11-2-4-13(14)5-3-11/h2-7,16H,8-10H2,1H3/b12-7+
InChIKeySVFUACBHFXFXNP-KPKJPENVSA-N
MW265.74 g/mol
LogP2.22
Rot. Bonds4

About (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine

(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine (PubChem CID 10316198) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine.

Molecular Properties

Compound Name(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine
PubChem CID10316198
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine
SMILESCN1CN=C/C(=C\NOCc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClN3O/c1-17-8-12(6-15-10-17)7-16-18-9-11-2-4-13(14)5-3-11/h2-7,16H,8-10H2,1H3/b12-7+
InChIKeySVFUACBHFXFXNP-KPKJPENVSA-N
XLogP2.22
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine
CID 118311874
N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine
CID 142650597
N-[(4-chlorophenyl)methoxy]-1-(cyclohexen-1-yl)methanimine
CID 173606795
(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine;oxalic acid
CID 10316197
(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine
CID 10474274
(1E)-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)-N-phenylmethoxymethanamine
CID 177436693
(1E)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine
CID 177508646
(1E)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)ethanamine
CID 177560853
(1E)-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)-N-[(4-methylphenyl)methoxy]methanamine
CID 177619224

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine?
The IUPAC name of (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine (CID 10316198) is (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine.
What is the SMILES notation for (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine?
The canonical SMILES for (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine is CN1CN=C/C(=C\NOCc2ccc(Cl)cc2)C1.
What is the InChIKey of (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine?
The InChIKey is SVFUACBHFXFXNP-KPKJPENVSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-17-8-12(6-15-10-17)7-16-18-9-11-2-4-13(14)5-3-11/h2-7,16H,8-10H2,1H3/b12-7+.
What are the key properties of (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine?
(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine has a molecular weight of 265.74 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine is sourced from PubChem (CID 10316198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).