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

C11H13ClN4S — CID 63023419

IUPAC6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCCN(Cc1cccs1)c1ncnc(Cl)c1N
InChIInChI=1S/C11H13ClN4S/c1-2-16(6-8-4-3-5-17-8)11-9(13)10(12)14-7-15-11/h3-5,7H,2,6,13H2,1H3
InChIKeyBISRLBUCLNTBMH-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.80
Rot. Bonds4

About 6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine

6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 63023419) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
PubChem CID63023419
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCCN(Cc1cccs1)c1ncnc(Cl)c1N
InChIInChI=1S/C11H13ClN4S/c1-2-16(6-8-4-3-5-17-8)11-9(13)10(12)14-7-15-11/h3-5,7H,2,6,13H2,1H3
InChIKeyBISRLBUCLNTBMH-UHFFFAOYSA-N
XLogP2.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66334837
4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79915736
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 82817692
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467817
3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61437900
N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896019
3-chloro-2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61436708
6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729773
2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide
CID 103101135
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 61437248

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine (CID 63023419) is 6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine is CCN(Cc1cccs1)c1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is BISRLBUCLNTBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-2-16(6-8-4-3-5-17-8)11-9(13)10(12)14-7-15-11/h3-5,7H,2,6,13H2,1H3.
What are the key properties of 6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine?
6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 268.77 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63023419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).