4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine

C18H14Cl2N6 — CID 86279724

IUPAC4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine
SMILESClc1ccc(/C=N/Nc2cc(N/N=C/c3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C18H14Cl2N6/c19-15-5-1-13(2-6-15)10-23-25-17-9-18(22-12-21-17)26-24-11-14-3-7-16(20)8-4-14/h1-12H,(H2,21,22,25,26)/b23-10+,24-11+
InChIKeyNMTQTHQTUCFUJB-HIWNQQMRSA-N
MW385.26 g/mol
LogP4.68
Rot. Bonds6

About 4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine

4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine (PubChem CID 86279724) has the molecular formula C18H14Cl2N6 and a molecular weight of 385.26 g/mol. Its IUPAC name is 4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine
PubChem CID86279724
Molecular FormulaC18H14Cl2N6
Molecular Weight385.26 g/mol
Exact Mass384.07
IUPAC Name4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine
SMILESClc1ccc(/C=N/Nc2cc(N/N=C/c3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C18H14Cl2N6/c19-15-5-1-13(2-6-15)10-23-25-17-9-18(22-12-21-17)26-24-11-14-3-7-16(20)8-4-14/h1-12H,(H2,21,22,25,26)/b23-10+,24-11+
InChIKeyNMTQTHQTUCFUJB-HIWNQQMRSA-N
XLogP4.68
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine
CID 21237326
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 155673726
8-N-(3-chlorophenyl)-4-N-[(4-chlorophenyl)methylideneamino]pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 169260201
6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine
CID 3769434
6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine
CID 139227329
4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136932712
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
CID 7188525
N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
CID 3937585
N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine
CID 70432124
N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide
CID 155673746

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine (CID 86279724) is 4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine is Clc1ccc(/C=N/Nc2cc(N/N=C/c3ccc(Cl)cc3)ncn2)cc1.
What is the InChIKey of 4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine?
The InChIKey is NMTQTHQTUCFUJB-HIWNQQMRSA-N. The full InChI is InChI=1S/C18H14Cl2N6/c19-15-5-1-13(2-6-15)10-23-25-17-9-18(22-12-21-17)26-24-11-14-3-7-16(20)8-4-14/h1-12H,(H2,21,22,25,26)/b23-10+,24-11+.
What are the key properties of 4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine?
4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine has a molecular weight of 385.26 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine is sourced from PubChem (CID 86279724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).