N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine

C16H16N4O — CID 9013735

IUPACN-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESC/C(=N/Nc1nc(C)cc(C)n1)c1cc2ccccc2o1
InChIInChI=1S/C16H16N4O/c1-10-8-11(2)18-16(17-10)20-19-12(3)15-9-13-6-4-5-7-14(13)21-15/h4-9H,1-3H3,(H,17,18,20)/b19-12-
InChIKeyQRCGQRGAKJPKTI-UNOMPAQXSA-N
MW280.33 g/mol
LogP3.68
Rot. Bonds3

About N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 9013735) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID9013735
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESC/C(=N/Nc1nc(C)cc(C)n1)c1cc2ccccc2o1
InChIInChI=1S/C16H16N4O/c1-10-8-11(2)18-16(17-10)20-19-12(3)15-9-13-6-4-5-7-14(13)21-15/h4-9H,1-3H3,(H,17,18,20)/b19-12-
InChIKeyQRCGQRGAKJPKTI-UNOMPAQXSA-N
XLogP3.68
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine
CID 2849003
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 16556101
5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid
CID 4181543
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine
CID 59951457
N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide
CID 6149535
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline
CID 6296979
1-[1-(1-benzofuran-2-yl)ethylideneamino]-3-(2,3-dimethylphenyl)thiourea
CID 3386782
4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135775097
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
1-(1-benzofuran-2-yl)ethanone
CID 15435

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 9013735) is N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine is C/C(=N/Nc1nc(C)cc(C)n1)c1cc2ccccc2o1.
What is the InChIKey of N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is QRCGQRGAKJPKTI-UNOMPAQXSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-8-11(2)18-16(17-10)20-19-12(3)15-9-13-6-4-5-7-14(13)21-15/h4-9H,1-3H3,(H,17,18,20)/b19-12-.
What are the key properties of N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 9013735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).