3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol

C10H16FN3OS — CID 107772815

IUPAC3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol
SMILESCCNc1ncc(F)c(SC(C)C(C)O)n1
InChIInChI=1S/C10H16FN3OS/c1-4-12-10-13-5-8(11)9(14-10)16-7(3)6(2)15/h5-7,15H,4H2,1-3H3,(H,12,13,14)
InChIKeyTWANWPYWYFFMOU-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.91
Rot. Bonds5

About 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol

3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol (PubChem CID 107772815) has the molecular formula C10H16FN3OS and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol
PubChem CID107772815
Molecular FormulaC10H16FN3OS
Molecular Weight245.32 g/mol
Exact Mass245.10
IUPAC Name3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol
SMILESCCNc1ncc(F)c(SC(C)C(C)O)n1
InChIInChI=1S/C10H16FN3OS/c1-4-12-10-13-5-8(11)9(14-10)16-7(3)6(2)15/h5-7,15H,4H2,1-3H3,(H,12,13,14)
InChIKeyTWANWPYWYFFMOU-UHFFFAOYSA-N
XLogP1.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765489
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891276
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80890860
5-chloro-N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
CID 107765527
4-(4-bromophenyl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80893337
3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772919
N-ethyl-5-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892715
4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80889927
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80892157
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-5-fluoropyrimidine-2,4-diamine
CID 80838421

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol?
The IUPAC name of 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol (CID 107772815) is 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol is CCNc1ncc(F)c(SC(C)C(C)O)n1.
What is the InChIKey of 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol?
The InChIKey is TWANWPYWYFFMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3OS/c1-4-12-10-13-5-8(11)9(14-10)16-7(3)6(2)15/h5-7,15H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol?
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol has a molecular weight of 245.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol is sourced from PubChem (CID 107772815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).