6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine

C15H18ClN5 — CID 72577519

IUPAC6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
SMILESCC(=NNc1cc(Cl)nc(C)n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18ClN5/c1-10(12-5-7-13(8-6-12)21(3)4)19-20-15-9-14(16)17-11(2)18-15/h5-9H,1-4H3,(H,17,18,20)
InChIKeyYLEHVJXEHXPPPN-UHFFFAOYSA-N
MW303.80 g/mol
LogP3.34
Rot. Bonds4

About 6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine

6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine (PubChem CID 72577519) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
PubChem CID72577519
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine
SMILESCC(=NNc1cc(Cl)nc(C)n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18ClN5/c1-10(12-5-7-13(8-6-12)21(3)4)19-20-15-9-14(16)17-11(2)18-15/h5-9H,1-4H3,(H,17,18,20)
InChIKeyYLEHVJXEHXPPPN-UHFFFAOYSA-N
XLogP3.34
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine (CID 72577519) is 6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine is CC(=NNc1cc(Cl)nc(C)n1)c1ccc(N(C)C)cc1.
What is the InChIKey of 6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine?
The InChIKey is YLEHVJXEHXPPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-10(12-5-7-13(8-6-12)21(3)4)19-20-15-9-14(16)17-11(2)18-15/h5-9H,1-4H3,(H,17,18,20).
What are the key properties of 6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine?
6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine has a molecular weight of 303.80 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 72577519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).