4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine

C9H14FN3S — CID 80886788

IUPAC4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(SC(C)(C)C)n1
InChIInChI=1S/C9H14FN3S/c1-9(2,3)14-7-6(10)5-12-8(11-4)13-7/h5H,1-4H3,(H,11,12,13)
InChIKeyMQNSJGKGHSHOSG-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.55
Rot. Bonds2

About 4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine

4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80886788) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80886788
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(SC(C)(C)C)n1
InChIInChI=1S/C9H14FN3S/c1-9(2,3)14-7-6(10)5-12-8(11-4)13-7/h5H,1-4H3,(H,11,12,13)
InChIKeyMQNSJGKGHSHOSG-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80888484
tert-butyl 2-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanylacetate
CID 116688351
4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80894473
5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80883253
4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80768846
4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80893618
4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80891170
5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine
CID 107765044
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198584
5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80890508

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine (CID 80886788) is 4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(SC(C)(C)C)n1.
What is the InChIKey of 4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is MQNSJGKGHSHOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-9(2,3)14-7-6(10)5-12-8(11-4)13-7/h5H,1-4H3,(H,11,12,13).
What are the key properties of 4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80886788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).