2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol

C9H15N3OS — CID 80885147

IUPAC2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol
SMILESCCCNc1cc(SCCO)ncn1
InChIInChI=1S/C9H15N3OS/c1-2-3-10-8-6-9(12-7-11-8)14-5-4-13/h6-7,13H,2-5H2,1H3,(H,10,11,12)
InChIKeyHWFYHXQXVJNGGE-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.38
Rot. Bonds6

About 2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol

2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol (PubChem CID 80885147) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol
PubChem CID80885147
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol
SMILESCCCNc1cc(SCCO)ncn1
InChIInChI=1S/C9H15N3OS/c1-2-3-10-8-6-9(12-7-11-8)14-5-4-13/h6-7,13H,2-5H2,1H3,(H,10,11,12)
InChIKeyHWFYHXQXVJNGGE-UHFFFAOYSA-N
XLogP1.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80891464
2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759513
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
(6-butylsulfanylpyrimidin-4-yl)hydrazine
CID 80921324
3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80851233
(6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766206
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80891150
3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157111
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457224
6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine
CID 80884045
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667

Frequently Asked Questions

What is the IUPAC name of 2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol?
The IUPAC name of 2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol (CID 80885147) is 2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol.
What is the SMILES notation for 2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol?
The canonical SMILES for 2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol is CCCNc1cc(SCCO)ncn1.
What is the InChIKey of 2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol?
The InChIKey is HWFYHXQXVJNGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-3-10-8-6-9(12-7-11-8)14-5-4-13/h6-7,13H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol?
2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol has a molecular weight of 213.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol is sourced from PubChem (CID 80885147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).