5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine

C10H10ClN3S — CID 105369294

IUPAC5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESClc1cncnc1NCCc1ccsc1
InChIInChI=1S/C10H10ClN3S/c11-9-5-12-7-14-10(9)13-3-1-8-2-4-15-6-8/h2,4-7H,1,3H2,(H,12,13,14)
InChIKeyDXWSRIZAOFLWGJ-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.85
Rot. Bonds4

About 5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine

5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine (PubChem CID 105369294) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
PubChem CID105369294
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESClc1cncnc1NCCc1ccsc1
InChIInChI=1S/C10H10ClN3S/c11-9-5-12-7-14-10(9)13-3-1-8-2-4-15-6-8/h2,4-7H,1,3H2,(H,12,13,14)
InChIKeyDXWSRIZAOFLWGJ-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-thiophen-3-ylethylamino)pyrimidine-5-carboxylate
CID 114214203
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 102975891
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517
5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66341707
6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 63728808
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
3-bromo-N-(2-thiophen-3-ylethyl)pyridin-2-amine
CID 61474378
3-chloro-N-(2-thiophen-3-ylethyl)-1,2,4-triazin-5-amine
CID 115000535
4-chloro-5-(thiophen-3-ylmethyl)pyrimidine
CID 139023792
2-chloro-6-methyl-5-nitro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 114043208
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876
N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
CID 105368920

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine (CID 105369294) is 5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine is Clc1cncnc1NCCc1ccsc1.
What is the InChIKey of 5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The InChIKey is DXWSRIZAOFLWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c11-9-5-12-7-14-10(9)13-3-1-8-2-4-15-6-8/h2,4-7H,1,3H2,(H,12,13,14).
What are the key properties of 5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine has a molecular weight of 239.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 105369294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).