N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine

C16H21N5 — CID 9013557

IUPACN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESC/C(=N/Nc1nc(C)cc(C)n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H21N5/c1-11-10-12(2)18-16(17-11)20-19-13(3)14-6-8-15(9-7-14)21(4)5/h6-10H,1-5H3,(H,17,18,20)/b19-13-
InChIKeyDKLPQASLWMPFHF-UYRXBGFRSA-N
MW283.38 g/mol
LogP3.00
Rot. Bonds4

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

N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 9013557) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID9013557
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESC/C(=N/Nc1nc(C)cc(C)n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H21N5/c1-11-10-12(2)18-16(17-11)20-19-13(3)14-6-8-15(9-7-14)21(4)5/h6-10H,1-5H3,(H,17,18,20)/b19-13-
InChIKeyDKLPQASLWMPFHF-UYRXBGFRSA-N
XLogP3.00
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.00
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-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135775097
4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine
CID 3695756
6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
CID 72577519
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4318963
4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 9015378
(2S)-2-[[4-[(Z)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]sulfonylamino]propanoic acid
CID 8971436
4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine
CID 2849003
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline
CID 9058365
6-(2-aminophenyl)-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
CID 73320052
4,6-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]pyrimidin-2-amine
CID 5199105
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013664
4-chloro-3-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 8974194

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 9013557) is N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine is C/C(=N/Nc1nc(C)cc(C)n1)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is DKLPQASLWMPFHF-UYRXBGFRSA-N. The full InChI is InChI=1S/C16H21N5/c1-11-10-12(2)18-16(17-11)20-19-13(3)14-6-8-15(9-7-14)21(4)5/h6-10H,1-5H3,(H,17,18,20)/b19-13-.
What are the key properties of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 9013557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).