4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine

C10H13ClN2OS — CID 130752272

IUPAC4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine
SMILESCOc1cnc(C2(C)CCCS2)nc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-10(4-3-5-15-10)9-12-6-7(14-2)8(11)13-9/h6H,3-5H2,1-2H3
InChIKeyVDAOEUSUWPQKFQ-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.88
Rot. Bonds2

About 4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine

4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine (PubChem CID 130752272) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine
PubChem CID130752272
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine
SMILESCOc1cnc(C2(C)CCCS2)nc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-10(4-3-5-15-10)9-12-6-7(14-2)8(11)13-9/h6H,3-5H2,1-2H3
InChIKeyVDAOEUSUWPQKFQ-UHFFFAOYSA-N
XLogP2.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(1-methylcyclopropyl)pyrimidin-4-amine
CID 126981932
4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine
CID 130560768
4-chloro-2-ethenyl-5-methoxypyrimidine
CID 175485449
4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine
CID 66569539
1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone
CID 163278723
[5-methoxy-2-(1-methylcyclopropyl)pyrimidin-4-yl]hydrazine
CID 130560857
4-chloro-2-methoxy-N-[[(2S)-2-methylthiolan-2-yl]methyl]benzamide
CID 96541178
4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine
CID 86668897
1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine
CID 91605725
1-[2-(5-chloro-4-methoxy-2-pyridinyl)ethyl]cyclopropan-1-amine
CID 105484219
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine
CID 105186271
5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
CID 114600714

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine (CID 130752272) is 4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine is COc1cnc(C2(C)CCCS2)nc1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine?
The InChIKey is VDAOEUSUWPQKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-10(4-3-5-15-10)9-12-6-7(14-2)8(11)13-9/h6H,3-5H2,1-2H3.
What are the key properties of 4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine?
4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine has a molecular weight of 244.75 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine is sourced from PubChem (CID 130752272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).