4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride

C10H8Cl4N4 — CID 175234065

IUPAC4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride
SMILESCl.Nc1cc(Nc2c(Cl)cc(Cl)cc2Cl)ncn1
InChIInChI=1S/C10H7Cl3N4.ClH/c11-5-1-6(12)10(7(13)2-5)17-9-3-8(14)15-4-16-9;/h1-4H,(H3,14,15,16,17);1H
InChIKeyRTIMIEATQCTCPH-UHFFFAOYSA-N
MW326.01 g/mol
LogP4.18
Rot. Bonds2

About 4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride

4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride (PubChem CID 175234065) has the molecular formula C10H8Cl4N4 and a molecular weight of 326.01 g/mol. Its IUPAC name is 4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride
PubChem CID175234065
Molecular FormulaC10H8Cl4N4
Molecular Weight326.01 g/mol
Exact Mass323.95
IUPAC Name4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride
SMILESCl.Nc1cc(Nc2c(Cl)cc(Cl)cc2Cl)ncn1
InChIInChI=1S/C10H7Cl3N4.ClH/c11-5-1-6(12)10(7(13)2-5)17-9-3-8(14)15-4-16-9;/h1-4H,(H3,14,15,16,17);1H
InChIKeyRTIMIEATQCTCPH-UHFFFAOYSA-N
XLogP4.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.01
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride?
The IUPAC name of 4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride (CID 175234065) is 4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride.
What is the SMILES notation for 4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride?
The canonical SMILES for 4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride is Cl.Nc1cc(Nc2c(Cl)cc(Cl)cc2Cl)ncn1.
What is the InChIKey of 4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride?
The InChIKey is RTIMIEATQCTCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4.ClH/c11-5-1-6(12)10(7(13)2-5)17-9-3-8(14)15-4-16-9;/h1-4H,(H3,14,15,16,17);1H.
What are the key properties of 4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride?
4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride has a molecular weight of 326.01 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride is sourced from PubChem (CID 175234065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).