5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine

C13H13ClN4OS — CID 172585981

IUPAC5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1ncc(Cl)c(SC)n1
InChIInChI=1S/C13H13ClN4OS/c1-19-12-9(10(7-3-4-7)16-6-17-12)11-15-5-8(14)13(18-11)20-2/h5-7H,3-4H2,1-2H3
InChIKeyMUMVOWJZSAMTEL-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.19
Rot. Bonds4

About 5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine

5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine (PubChem CID 172585981) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is 5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine
PubChem CID172585981
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1ncc(Cl)c(SC)n1
InChIInChI=1S/C13H13ClN4OS/c1-19-12-9(10(7-3-4-7)16-6-17-12)11-15-5-8(14)13(18-11)20-2/h5-7H,3-4H2,1-2H3
InChIKeyMUMVOWJZSAMTEL-UHFFFAOYSA-N
XLogP3.19
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(difluoromethyl)-4-methylsulfanylpyrimidine
CID 172586320
4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine
CID 177165307
2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 171781729
4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 177165344
ethyl (E)-3-[4-amino-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrimidin-5-yl]prop-2-enoate
CID 175950625
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene
CID 171405873
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-(2-fluoro-2-propylhexoxy)-5-methoxypyrimidine
CID 172585866
CID 170707681
CID 170707681
tert-butyl N-[[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-yl]methyl]-N-methylcarbamate
CID 164881466
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[5-fluoro-6-(3-methylpent-2-en-2-yl)-3-pyridinyl]methoxy]-5-methoxypyrimidine
CID 172585474
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-[(6-methylsulfanyl-3-pyridinyl)methylamino]-8-propan-2-ylpteridin-7-one
CID 138712973
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidine;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-3-methylsulfonylpyrazolo[3,4-d]pyrimidine;methane
CID 158067614

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine?
The IUPAC name of 5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine (CID 172585981) is 5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine.
What is the SMILES notation for 5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine?
The canonical SMILES for 5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine is COc1ncnc(C2CC2)c1-c1ncc(Cl)c(SC)n1.
What is the InChIKey of 5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine?
The InChIKey is MUMVOWJZSAMTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c1-19-12-9(10(7-3-4-7)16-6-17-12)11-15-5-8(14)13(18-11)20-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine?
5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine has a molecular weight of 308.79 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine is sourced from PubChem (CID 172585981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).