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

C11H13ClN4S — CID 114043536

IUPAC2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NCCc2cccs2)c1N
InChIInChI=1S/C11H13ClN4S/c1-7-9(13)10(16-11(12)15-7)14-5-4-8-3-2-6-17-8/h2-3,6H,4-5,13H2,1H3,(H,14,15,16)
InChIKeyYHYYKBSVDOKSBT-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.74
Rot. Bonds4

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

2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine (PubChem CID 114043536) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
PubChem CID114043536
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NCCc2cccs2)c1N
InChIInChI=1S/C11H13ClN4S/c1-7-9(13)10(16-11(12)15-7)14-5-4-8-3-2-6-17-8/h2-3,6H,4-5,13H2,1H3,(H,14,15,16)
InChIKeyYHYYKBSVDOKSBT-UHFFFAOYSA-N
XLogP2.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79075871
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-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 63271585
4-N-tert-butyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22540400
4-N-(3-chloro-2-methylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22545506
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
4-N-(6-methyl-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22542461
3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 114074049
6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324377

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine (CID 114043536) is 2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine is Cc1nc(Cl)nc(NCCc2cccs2)c1N.
What is the InChIKey of 2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is YHYYKBSVDOKSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-7-9(13)10(16-11(12)15-7)14-5-4-8-3-2-6-17-8/h2-3,6H,4-5,13H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 268.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 114043536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).