6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine

C14H18ClN3S — CID 80972540

IUPAC6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)C(C)c2cccs2)n1
InChIInChI=1S/C14H18ClN3S/c1-5-12-16-13(15)9(2)14(17-12)18(4)10(3)11-7-6-8-19-11/h6-8,10H,5H2,1-4H3
InChIKeyZIRSNKCJDDDVIN-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.26
Rot. Bonds4

About 6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine

6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 80972540) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID80972540
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)C(C)c2cccs2)n1
InChIInChI=1S/C14H18ClN3S/c1-5-12-16-13(15)9(2)14(17-12)18(4)10(3)11-7-6-8-19-11/h6-8,10H,5H2,1-4H3
InChIKeyZIRSNKCJDDDVIN-UHFFFAOYSA-N
XLogP4.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-N,5-dimethyl-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80994920
6-chloro-N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80972382
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79072473
4-N,5-dimethyl-2-propan-2-yl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80987613
4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine
CID 80978184
2-chloro-5-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79081658
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62482403
4-(chloromethyl)-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 114220018
4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80804482
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
CID 80508987
6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine
CID 80979033
1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80978160

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine (CID 80972540) is 6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(N(C)C(C)c2cccs2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is ZIRSNKCJDDDVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-5-12-16-13(15)9(2)14(17-12)18(4)10(3)11-7-6-8-19-11/h6-8,10H,5H2,1-4H3.
What are the key properties of 6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80972540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).