5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

C13H16Cl2N4S — CID 80804211

IUPAC5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C13H16Cl2N4S/c1-3-6-16-13-17-7-9(14)12(19-13)18-8(2)10-4-5-11(15)20-10/h4-5,7-8H,3,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyDSYAGDPPWMDRGA-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.84
Rot. Bonds6

About 5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80804211) has the molecular formula C13H16Cl2N4S and a molecular weight of 331.27 g/mol. Its IUPAC name is 5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80804211
Molecular FormulaC13H16Cl2N4S
Molecular Weight331.27 g/mol
Exact Mass330.05
IUPAC Name5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C13H16Cl2N4S/c1-3-6-16-13-17-7-9(14)12(19-13)18-8(2)10-4-5-11(15)20-10/h4-5,7-8H,3,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyDSYAGDPPWMDRGA-UHFFFAOYSA-N
XLogP4.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80781944
5-chloro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028695
3-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163570
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102761773
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239
5-chloro-4-N-(7-methyloctyl)-2-N-propylpyrimidine-2,4-diamine
CID 107818942
5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80802191
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841619
5-chloro-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801155
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 63729127
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 80804211) is 5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(NC(C)c2ccc(Cl)s2)n1.
What is the InChIKey of 5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is DSYAGDPPWMDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4S/c1-3-6-16-13-17-7-9(14)12(19-13)18-8(2)10-4-5-11(15)20-10/h4-5,7-8H,3,6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 331.27 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80804211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).