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

C12H14ClN3S — CID 79072473

IUPAC2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1N(C)C(C)c1cccs1
InChIInChI=1S/C12H14ClN3S/c1-8-7-14-12(13)15-11(8)16(3)9(2)10-5-4-6-17-10/h4-7,9H,1-3H3
InChIKeyJEALILYICQUWFH-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.70
Rot. Bonds3

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

2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 79072473) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID79072473
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1N(C)C(C)c1cccs1
InChIInChI=1S/C12H14ClN3S/c1-8-7-14-12(13)15-11(8)16(3)9(2)10-5-4-6-17-10/h4-7,9H,1-3H3
InChIKeyJEALILYICQUWFH-UHFFFAOYSA-N
XLogP3.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine (CID 79072473) is 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine is Cc1cnc(Cl)nc1N(C)C(C)c1cccs1.
What is the InChIKey of 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is JEALILYICQUWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-8-7-14-12(13)15-11(8)16(3)9(2)10-5-4-6-17-10/h4-7,9H,1-3H3.
What are the key properties of 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 267.79 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 79072473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).