5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine

C12H11Cl3N4 — CID 146091234

IUPAC5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1ncnc(N)c1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl3N4/c1-6(7-2-3-8(13)9(14)4-7)19-12-10(15)11(16)17-5-18-12/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyPVVLROQQVICMAH-UHFFFAOYSA-N
MW317.61 g/mol
LogP4.19
Rot. Bonds3

About 5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine

5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 146091234) has the molecular formula C12H11Cl3N4 and a molecular weight of 317.61 g/mol. Its IUPAC name is 5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID146091234
Molecular FormulaC12H11Cl3N4
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1ncnc(N)c1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl3N4/c1-6(7-2-3-8(13)9(14)4-7)19-12-10(15)11(16)17-5-18-12/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyPVVLROQQVICMAH-UHFFFAOYSA-N
XLogP4.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 106811735
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 80802406
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049792
5-chloro-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 113372633
5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106811993
5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine
CID 19104016
5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
CID 106811981
4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 63425757
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 15916528
5-chloro-4-N-(4-ethylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
CID 106812170
5-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80780923

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine (CID 146091234) is 5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine is CC(Nc1ncnc(N)c1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is PVVLROQQVICMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N4/c1-6(7-2-3-8(13)9(14)4-7)19-12-10(15)11(16)17-5-18-12/h2-6H,1H3,(H3,16,17,18,19).
What are the key properties of 5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 317.61 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 146091234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).