6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine

C15H11Cl3N6 — CID 22544968

IUPAC6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1ccc(Cl)cn1
InChIInChI=1S/C15H11Cl3N6/c16-8-1-2-12(20-6-8)24-15-13(19)14(21-7-22-15)23-11-4-9(17)3-10(18)5-11/h1-7H,19H2,(H2,20,21,22,23,24)
InChIKeyTZEFRFILOPRVSX-UHFFFAOYSA-N
MW381.65 g/mol
LogP4.90
Rot. Bonds4

About 6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine

6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 22544968) has the molecular formula C15H11Cl3N6 and a molecular weight of 381.65 g/mol. Its IUPAC name is 6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
PubChem CID22544968
Molecular FormulaC15H11Cl3N6
Molecular Weight381.65 g/mol
Exact Mass380.01
IUPAC Name6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1ccc(Cl)cn1
InChIInChI=1S/C15H11Cl3N6/c16-8-1-2-12(20-6-8)24-15-13(19)14(21-7-22-15)23-11-4-9(17)3-10(18)5-11/h1-7H,19H2,(H2,20,21,22,23,24)
InChIKeyTZEFRFILOPRVSX-UHFFFAOYSA-N
XLogP4.90
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.65
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
4-N-(5-chloro-2-pyridinyl)-6-N-(4-iodophenyl)pyrimidine-4,5,6-triamine
CID 19147083
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893
4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540285
6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544993
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544983
5-chloro-N-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 107370354
6-N-(5-chloro-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144597
6-(4-chlorophenyl)sulfanyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22544900
4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138037

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine (CID 22544968) is 6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1ccc(Cl)cn1.
What is the InChIKey of 6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is TZEFRFILOPRVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N6/c16-8-1-2-12(20-6-8)24-15-13(19)14(21-7-22-15)23-11-4-9(17)3-10(18)5-11/h1-7H,19H2,(H2,20,21,22,23,24).
What are the key properties of 6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine?
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 381.65 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).