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

C11H12ClN3S — CID 79075871

IUPAC2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCCc1cccs1
InChIInChI=1S/C11H12ClN3S/c1-8-7-14-11(12)15-10(8)13-5-4-9-3-2-6-16-9/h2-3,6-7H,4-5H2,1H3,(H,13,14,15)
InChIKeyAWAYWQPEXZGRMS-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.15
Rot. Bonds4

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

2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 79075871) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID79075871
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCCc1cccs1
InChIInChI=1S/C11H12ClN3S/c1-8-7-14-11(12)15-10(8)13-5-4-9-3-2-6-16-9/h2-3,6-7H,4-5H2,1H3,(H,13,14,15)
InChIKeyAWAYWQPEXZGRMS-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 114043536
3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine
CID 81036300
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512
6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 63271585
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 79076599
2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195918
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037
methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
CID 114214014
2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80775595
3,5-dichloro-N-propyl-6-(2-thiophen-2-ylethoxy)pyridin-2-amine
CID 102760896

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (CID 79075871) is 2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is Cc1cnc(Cl)nc1NCCc1cccs1.
What is the InChIKey of 2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is AWAYWQPEXZGRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-8-7-14-11(12)15-10(8)13-5-4-9-3-2-6-16-9/h2-3,6-7H,4-5H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 253.76 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 79075871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).