5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine

C18H17N5 — CID 2842106

IUPAC5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine
SMILESCc1nc(-c2ccccc2)nc(NN=Cc2ccncc2)c1C
InChIInChI=1S/C18H17N5/c1-13-14(2)21-18(16-6-4-3-5-7-16)22-17(13)23-20-12-15-8-10-19-11-9-15/h3-12H,1-2H3,(H,21,22,23)
InChIKeyKMCSGZUIGQRXFW-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.60
Rot. Bonds4

About 5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine

5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine (PubChem CID 2842106) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine
PubChem CID2842106
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine
SMILESCc1nc(-c2ccccc2)nc(NN=Cc2ccncc2)c1C
InChIInChI=1S/C18H17N5/c1-13-14(2)21-18(16-6-4-3-5-7-16)22-17(13)23-20-12-15-8-10-19-11-9-15/h3-12H,1-2H3,(H,21,22,23)
InChIKeyKMCSGZUIGQRXFW-UHFFFAOYSA-N
XLogP3.60
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.60
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'}

Analyze 5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzylideneamino)-5,6-dimethyl-2-phenylpyrimidin-4-amine
CID 2842110
6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine
CID 3097719
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5,6-dimethyl-2-phenylpyrimidin-4-amine
CID 5332826
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine
CID 3446041
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750
4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
CID 5149886
4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]benzoic acid
CID 54583972
2-methyl-4-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-6-phenylpyrimidine-4,5-diamine
CID 89355630
2-(4-methylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]quinazolin-4-amine
CID 5339803
3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 58865994
6-methyl-3-[2-(pyridin-4-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135435472

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine (CID 2842106) is 5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine is Cc1nc(-c2ccccc2)nc(NN=Cc2ccncc2)c1C.
What is the InChIKey of 5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine?
The InChIKey is KMCSGZUIGQRXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-13-14(2)21-18(16-6-4-3-5-7-16)22-17(13)23-20-12-15-8-10-19-11-9-15/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine?
5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine is sourced from PubChem (CID 2842106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).