6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine

C11H12ClN3S — CID 63729190

IUPAC6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC(C)c1ccsc1
InChIInChI=1S/C11H12ClN3S/c1-7-10(12)13-6-14-11(7)15-8(2)9-3-4-16-5-9/h3-6,8H,1-2H3,(H,13,14,15)
InChIKeyWYHJZHAJFWEXEL-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.67
Rot. Bonds3

About 6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine

6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine (PubChem CID 63729190) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
PubChem CID63729190
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC(C)c1ccsc1
InChIInChI=1S/C11H12ClN3S/c1-7-10(12)13-6-14-11(7)15-8(2)9-3-4-16-5-9/h3-6,8H,1-2H3,(H,13,14,15)
InChIKeyWYHJZHAJFWEXEL-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80919084
5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80825152
2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 79632615
6-N-methyl-5-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80825050
5-ethyl-6-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80918531
6-chloro-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729876
6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80805122
4-chloro-2-methyl-6-(1-thiophen-3-ylethylamino)pyrimidine-5-carbaldehyde
CID 80726659
4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709
3-bromo-N-(1-thiophen-3-ylethyl)pyridin-2-amine
CID 62840685
2-[(6-chloro-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 63730458
N-(1-thiophen-3-ylethyl)pyrimidin-5-amine
CID 107588181

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine (CID 63729190) is 6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine is Cc1c(Cl)ncnc1NC(C)c1ccsc1.
What is the InChIKey of 6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine?
The InChIKey is WYHJZHAJFWEXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7-10(12)13-6-14-11(7)15-8(2)9-3-4-16-5-9/h3-6,8H,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine?
6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine has a molecular weight of 253.76 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 63729190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).