5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

C11H13ClN4S — CID 80771359

IUPAC5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCc2cccs2)n1
InChIInChI=1S/C11H13ClN4S/c1-2-13-11-15-7-9(12)10(16-11)14-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H2,13,14,15,16)
InChIKeyIQYQADWDGGOMMV-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.24
Rot. Bonds5

About 5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80771359) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80771359
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCc2cccs2)n1
InChIInChI=1S/C11H13ClN4S/c1-2-13-11-15-7-9(12)10(16-11)14-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H2,13,14,15,16)
InChIKeyIQYQADWDGGOMMV-UHFFFAOYSA-N
XLogP3.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80775595
5-chloro-2-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80781944
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80830405
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
CID 80855209
5-chloro-4-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80805633

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (CID 80771359) is 5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NCc2cccs2)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is IQYQADWDGGOMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-2-13-11-15-7-9(12)10(16-11)14-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 268.77 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80771359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).