2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

C12H14ClN3S — CID 79427323

IUPAC2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2cc(Cl)cs2)n1
InChIInChI=1S/C12H14ClN3S/c1-7(2)9-5-11(14-3)16-12(15-9)10-4-8(13)6-17-10/h4-7H,1-3H3,(H,14,15,16)
InChIKeyDRUILDUIPKBFJL-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.02
Rot. Bonds3

About 2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 79427323) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID79427323
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2cc(Cl)cs2)n1
InChIInChI=1S/C12H14ClN3S/c1-7(2)9-5-11(14-3)16-12(15-9)10-4-8(13)6-17-10/h4-7H,1-3H3,(H,14,15,16)
InChIKeyDRUILDUIPKBFJL-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 79427323) is 2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1cc(C(C)C)nc(-c2cc(Cl)cs2)n1.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is DRUILDUIPKBFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-7(2)9-5-11(14-3)16-12(15-9)10-4-8(13)6-17-10/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 267.78 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 79427323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).