4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine

C18H18ClN5O — CID 19148675

IUPAC4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C18H18ClN5O/c1-2-25-15-9-7-14(8-10-15)24-18-16(20)17(21-11-22-18)23-13-5-3-12(19)4-6-13/h3-11H,2,20H2,1H3,(H2,21,22,23,24)
InChIKeyUIXBBQKTRWMJGB-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.60
Rot. Bonds6

About 4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine

4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19148675) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19148675
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C18H18ClN5O/c1-2-25-15-9-7-14(8-10-15)24-18-16(20)17(21-11-22-18)23-13-5-3-12(19)4-6-13/h3-11H,2,20H2,1H3,(H2,21,22,23,24)
InChIKeyUIXBBQKTRWMJGB-UHFFFAOYSA-N
XLogP4.60
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149262
4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135249
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149250
4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149265
4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19149235
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19149232
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995
6-N-(4-butoxyphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22545988

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine (CID 19148675) is 4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine is CCOc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is UIXBBQKTRWMJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-2-25-15-9-7-14(8-10-15)24-18-16(20)17(21-11-22-18)23-13-5-3-12(19)4-6-13/h3-11H,2,20H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 355.83 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19148675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).