N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine

C16H20N4O2 — CID 9013734

IUPACN-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(OC)c(/C(C)=N\Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C16H20N4O2/c1-10-8-11(2)18-16(17-10)20-19-12(3)14-9-13(21-4)6-7-15(14)22-5/h6-9H,1-5H3,(H,17,18,20)/b19-12-
InChIKeySJPFLTWEKSEBME-UNOMPAQXSA-N
MW300.36 g/mol
LogP2.95
Rot. Bonds5

About N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 9013734) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID9013734
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(OC)c(/C(C)=N\Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C16H20N4O2/c1-10-8-11(2)18-16(17-10)20-19-12(3)14-9-13(21-4)6-7-15(14)22-5/h6-9H,1-5H3,(H,17,18,20)/b19-12-
InChIKeySJPFLTWEKSEBME-UNOMPAQXSA-N
XLogP2.95
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135609452
2-[2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135475039
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 7734089
7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
CID 6048101
N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5238816
4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine
CID 2849003
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 9175469
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013581
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1418692
2-[(Z)-but-2-en-2-yl]-1,4-dimethoxybenzene
CID 10035483
1-benzyl-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]thiourea
CID 4066207

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 9013734) is N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine is COc1ccc(OC)c(/C(C)=N\Nc2nc(C)cc(C)n2)c1.
What is the InChIKey of N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is SJPFLTWEKSEBME-UNOMPAQXSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-8-11(2)18-16(17-10)20-19-12(3)14-9-13(21-4)6-7-15(14)22-5/h6-9H,1-5H3,(H,17,18,20)/b19-12-.
What are the key properties of N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 300.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 9013734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).