3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

C9H14FN3OS — CID 106162578

IUPAC3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cc(F)ncn1
InChIInChI=1S/C9H14FN3OS/c1-6(7(4-14)15-2)13-9-3-8(10)11-5-12-9/h3,5-7,14H,4H2,1-2H3,(H,11,12,13)
InChIKeyWNCPESQBRUYMBG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.14
Rot. Bonds5

About 3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106162578) has the molecular formula C9H14FN3OS and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID106162578
Molecular FormulaC9H14FN3OS
Molecular Weight231.30 g/mol
Exact Mass231.08
IUPAC Name3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cc(F)ncn1
InChIInChI=1S/C9H14FN3OS/c1-6(7(4-14)15-2)13-9-3-8(10)11-5-12-9/h3,5-7,14H,4H2,1-2H3,(H,11,12,13)
InChIKeyWNCPESQBRUYMBG-UHFFFAOYSA-N
XLogP1.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-Aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106174483
3-[(6-Fluoropyrimidin-4-yl)amino]butan-1-ol
CID 83188660
6-fluoro-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103064302
3-[(5-Fluoropyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103826156
4-[(6-Fluoropyrimidin-4-yl)amino]pentan-2-ol
CID 104108183
6-fluoro-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 105864321
6-fluoro-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 105879798
6-fluoro-N-(5-methylsulfanylpentyl)pyrimidin-4-amine
CID 105920159
5-[(6-Fluoropyrimidin-4-yl)amino]pentan-2-ol
CID 106137262
3-[(6-Fluoropyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106162446
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106162586
3-[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106162605

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (CID 106162578) is 3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1cc(F)ncn1.
What is the InChIKey of 3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is WNCPESQBRUYMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3OS/c1-6(7(4-14)15-2)13-9-3-8(10)11-5-12-9/h3,5-7,14H,4H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106162578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).