N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine

C22H19ClN4O — CID 6300670

IUPACN-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1ccc2/c(=N/Nc3nc(C)cc(C)n3)cc(-c3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C22H19ClN4O/c1-13-4-9-18-19(26-27-22-24-14(2)11-15(3)25-22)12-20(28-21(18)10-13)16-5-7-17(23)8-6-16/h4-12H,1-3H3,(H,24,25,27)/b26-19+
InChIKeyFIVDURGUYXSYNG-LGUFXXKBSA-N
MW390.87 g/mol
LogP5.40
Rot. Bonds3

About N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine

N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 6300670) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine
PubChem CID6300670
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC NameN-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1ccc2/c(=N/Nc3nc(C)cc(C)n3)cc(-c3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C22H19ClN4O/c1-13-4-9-18-19(26-27-22-24-14(2)11-15(3)25-22)12-20(28-21(18)10-13)16-5-7-17(23)8-6-16/h4-12H,1-3H3,(H,24,25,27)/b26-19+
InChIKeyFIVDURGUYXSYNG-LGUFXXKBSA-N
XLogP5.40
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline
CID 7730745
N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine
CID 6018983
4-[(4E)-6,8-dichloro-4-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]chromen-2-yl]-2-methoxyphenol
CID 135715907
2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one
CID 1413717
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methylchromen-4-imine
CID 2239413
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one
CID 10756387
N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
CID 7730775
7,19-bis(4-methylphenyl)-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58410888
2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 122520461
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6410097
N-[[2-(4-tert-butylphenyl)chromen-4-ylidene]amino]quinolin-1-ium-2-amine
CID 135537970

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine (CID 6300670) is N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine is Cc1ccc2/c(=N/Nc3nc(C)cc(C)n3)cc(-c3ccc(Cl)cc3)oc2c1.
What is the InChIKey of N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is FIVDURGUYXSYNG-LGUFXXKBSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-13-4-9-18-19(26-27-22-24-14(2)11-15(3)25-22)12-20(28-21(18)10-13)16-5-7-17(23)8-6-16/h4-12H,1-3H3,(H,24,25,27)/b26-19+.
What are the key properties of N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine?
N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 390.87 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 6300670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).