5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine

C10H11ClN4S — CID 106811735

IUPAC5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1ncnc(N)c1Cl)c1cccs1
InChIInChI=1S/C10H11ClN4S/c1-6(7-3-2-4-16-7)15-10-8(11)9(12)13-5-14-10/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyWOPLANRNTANIDO-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.95
Rot. Bonds3

About 5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine

5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 106811735) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID106811735
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1ncnc(N)c1Cl)c1cccs1
InChIInChI=1S/C10H11ClN4S/c1-6(7-3-2-4-16-7)15-10-8(11)9(12)13-5-14-10/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyWOPLANRNTANIDO-UHFFFAOYSA-N
XLogP2.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde
CID 66368789
5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 146091234
5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106811993
5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
5-chloro-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 113372633
5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
CID 61227691
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384
5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine
CID 103552680
6-hydrazinyl-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80901918
5-chloro-2-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80781944
5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049862

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (CID 106811735) is 5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is CC(Nc1ncnc(N)c1Cl)c1cccs1.
What is the InChIKey of 5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is WOPLANRNTANIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-6(7-3-2-4-16-7)15-10-8(11)9(12)13-5-14-10/h2-6H,1H3,(H3,12,13,14,15).
What are the key properties of 5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 254.75 g/mol, XLogP of 2.95, 3 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-thiophen-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106811735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).