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

C12H13N5 — CID 5149886

IUPAC4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
SMILESCc1cc(C)nc(NN=Cc2ccncc2)n1
InChIInChI=1S/C12H13N5/c1-9-7-10(2)16-12(15-9)17-14-8-11-3-5-13-6-4-11/h3-8H,1-2H3,(H,15,16,17)
InChIKeyKCKDGTWYHOHJBD-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.93
Rot. Bonds3

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

4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine (PubChem CID 5149886) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
PubChem CID5149886
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
SMILESCc1cc(C)nc(NN=Cc2ccncc2)n1
InChIInChI=1S/C12H13N5/c1-9-7-10(2)16-12(15-9)17-14-8-11-3-5-13-6-4-11/h3-8H,1-2H3,(H,15,16,17)
InChIKeyKCKDGTWYHOHJBD-UHFFFAOYSA-N
XLogP1.93
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.93
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-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 1420807
N-[2-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 2334192
2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136803392
N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6163671
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine
CID 3363670
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
2-[4-[[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 3665865
4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 8971405
4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine
CID 42994964
4-N-(3,4-dimethylphenyl)-6-N-(4-nitrophenyl)-2-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 6229337
4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-nitrophenol
CID 135583629
4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135620435

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine (CID 5149886) is 4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine is Cc1cc(C)nc(NN=Cc2ccncc2)n1.
What is the InChIKey of 4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine?
The InChIKey is KCKDGTWYHOHJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-9-7-10(2)16-12(15-9)17-14-8-11-3-5-13-6-4-11/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine?
4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine has a molecular weight of 227.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine is sourced from PubChem (CID 5149886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).