6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine

C12H14ClN3S — CID 63728808

IUPAC6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCCc2ccsc2)n1
InChIInChI=1S/C12H14ClN3S/c1-8-11(13)15-9(2)16-12(8)14-5-3-10-4-6-17-7-10/h4,6-7H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyAIDRGPPYCGIGJM-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.46
Rot. Bonds4

About 6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine

6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine (PubChem CID 63728808) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
PubChem CID63728808
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCCc2ccsc2)n1
InChIInChI=1S/C12H14ClN3S/c1-8-11(13)15-9(2)16-12(8)14-5-3-10-4-6-17-7-10/h4,6-7H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyAIDRGPPYCGIGJM-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-5-methyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80987280
6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80913941
methyl 2-methyl-4-(2-thiophen-3-ylethylamino)pyrimidine-5-carboxylate
CID 114214204
2-chloro-6-methyl-5-nitro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 114043208
5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 105369294
6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63734406
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 55231599
6-chloro-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729876
6-chloro-2,5-dimethyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 63736491
4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 80979409
2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83074490

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine (CID 63728808) is 6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCCc2ccsc2)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The InChIKey is AIDRGPPYCGIGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-8-11(13)15-9(2)16-12(8)14-5-3-10-4-6-17-7-10/h4,6-7H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine has a molecular weight of 267.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 63728808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).