6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

C11H16ClN3S — CID 80546756

IUPAC6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(N(C)CC2CCC2)n1
InChIInChI=1S/C11H16ClN3S/c1-15(7-8-4-3-5-8)10-6-9(12)13-11(14-10)16-2/h6,8H,3-5,7H2,1-2H3
InChIKeyFFYNJEPIYMFARQ-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.09
Rot. Bonds4

About 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80546756) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80546756
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC Name6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(N(C)CC2CCC2)n1
InChIInChI=1S/C11H16ClN3S/c1-15(7-8-4-3-5-8)10-6-9(12)13-11(14-10)16-2/h6,8H,3-5,7H2,1-2H3
InChIKeyFFYNJEPIYMFARQ-UHFFFAOYSA-N
XLogP3.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-ethyl-2-(methylsulfanyl)-4-pyrimidinamine
CID 1484542
6-Chloro-4-(dimethylaminomethyleneamino)-2-(methylsulfanyl)pyrimidine
CID 9554662
4-Chloro-2-(methylthio)-6-[(2S)-2-(trifluoromethyl)-1-pyrrolidinyl]pyrimidine
CID 58504425
4-Chloro-2-methylsulfanyl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine
CID 76806787
4-Chloro-6-(3,3-difluoropiperidin-1-yl)-2-methylsulfanylpyrimidine
CID 176265297
4-Chloro-6-(4-fluoropiperidin-1-yl)-2-methylsulfanylpyrimidine
CID 176265379
4-Chloro-2-(methylthio)-6-(piperidin-1-yl)pyrimidine
CID 71438371
6-chloro-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine
CID 102582821
6-chloro-N-ethyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80545307
6-chloro-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80545396
6-chloro-2-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80545420
6-chloro-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80545496

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80546756) is 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(N(C)CC2CCC2)n1.
What is the InChIKey of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is FFYNJEPIYMFARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3S/c1-15(7-8-4-3-5-8)10-6-9(12)13-11(14-10)16-2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 257.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80546756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).