[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol

C14H24N4OS — CID 133304977

IUPAC[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCSCCCNc1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C14H24N4OS/c1-20-7-3-5-15-13-8-14(17-11-16-13)18-6-2-4-12(9-18)10-19/h8,11-12,19H,2-7,9-10H2,1H3,(H,15,16,17)
InChIKeyPLQAQWJKTFKOPZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.85
Rot. Bonds7

About [1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133304977) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is [1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133304977
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCSCCCNc1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C14H24N4OS/c1-20-7-3-5-15-13-8-14(17-11-16-13)18-6-2-4-12(9-18)10-19/h8,11-12,19H,2-7,9-10H2,1H3,(H,15,16,17)
InChIKeyPLQAQWJKTFKOPZ-UHFFFAOYSA-N
XLogP1.85
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133293839
[1-[6-[2-(4-methylpyrazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133281793
[1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133305982
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
[1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133375019
[1-[6-[(4-bromophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133292882
[1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133405989
1-(3,5-dichlorophenyl)-2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133308102
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid
CID 122060266
[(3S)-1-[6-[2-(1-benzothiophen-3-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 171359084

Frequently Asked Questions

What is the IUPAC name of [1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133304977) is [1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol is CSCCCNc1cc(N2CCCC(CO)C2)ncn1.
What is the InChIKey of [1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is PLQAQWJKTFKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-20-7-3-5-15-13-8-14(17-11-16-13)18-6-2-4-12(9-18)10-19/h8,11-12,19H,2-7,9-10H2,1H3,(H,15,16,17).
What are the key properties of [1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 296.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133304977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).