N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine

C16H17ClN4 — CID 88528006

IUPACN-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine
SMILESC/C(=N/Nc1nc(C)cc(C2CC2)n1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN4/c1-10-9-15(12-7-8-12)19-16(18-10)21-20-11(2)13-5-3-4-6-14(13)17/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,21)/b20-11-
InChIKeyQADJVQJPXZGRQB-JAIQZWGSSA-N
MW300.79 g/mol
LogP4.15
Rot. Bonds4

About N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine

N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine (PubChem CID 88528006) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine
PubChem CID88528006
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC NameN-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine
SMILESC/C(=N/Nc1nc(C)cc(C2CC2)n1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN4/c1-10-9-15(12-7-8-12)19-16(18-10)21-20-11(2)13-5-3-4-6-14(13)17/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,21)/b20-11-
InChIKeyQADJVQJPXZGRQB-JAIQZWGSSA-N
XLogP4.15
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine (CID 88528006) is N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine is C/C(=N/Nc1nc(C)cc(C2CC2)n1)c1ccccc1Cl.
What is the InChIKey of N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine?
The InChIKey is QADJVQJPXZGRQB-JAIQZWGSSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-10-9-15(12-7-8-12)19-16(18-10)21-20-11(2)13-5-3-4-6-14(13)17/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,21)/b20-11-.
What are the key properties of N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine?
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine has a molecular weight of 300.79 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-cyclopropyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 88528006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).