[1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol

C14H24N4O — CID 72882614

IUPAC[1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCc1cnc(NCCCN2CCCCC2CO)nc1
InChIInChI=1S/C14H24N4O/c1-12-9-16-14(17-10-12)15-6-4-8-18-7-3-2-5-13(18)11-19/h9-10,13,19H,2-8,11H2,1H3,(H,15,16,17)
InChIKeyMOHNPOBHKVXDEO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.43
Rot. Bonds6

About [1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol

[1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol (PubChem CID 72882614) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol
PubChem CID72882614
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCc1cnc(NCCCN2CCCCC2CO)nc1
InChIInChI=1S/C14H24N4O/c1-12-9-16-14(17-10-12)15-6-4-8-18-7-3-2-5-13(18)11-19/h9-10,13,19H,2-8,11H2,1H3,(H,15,16,17)
InChIKeyMOHNPOBHKVXDEO-UHFFFAOYSA-N
XLogP1.43
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[(2-Morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 72024778
1-[((3R*,4R*)-4-(hydroxymethyl)-1-{[2-(isopropylamino)pyrimidin-5-yl]methyl}pyrrolidin-3-yl)methyl]piperidin-4-ol
CID 72848374
(1-{3-[(2-Amino-5-ethylpyrimidin-4-YL)amino]propyl}piperidin-2-YL)methanol
CID 72910877
1-{3-[(5-Ethylpyrimidin-2-YL)amino]propyl}piperidin-4-OL
CID 72927093
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
2-Amino-3-(5-methylpyrimidin-2-yl)propan-1-ol
CID 138991302
1-[(5-Methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72838276
1-{2-[(5-Ethylpyrimidin-2-YL)amino]ethyl}piperidin-4-OL
CID 72856377
(1-{2-[(5-Methylpyrimidin-2-yl)amino]ethyl}piperidin-4-yl)methanol
CID 72866545
(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
CID 72866844
1-[(2-Amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72934373
2-[[1-(5-Chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol
CID 75482946

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol (CID 72882614) is [1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol is Cc1cnc(NCCCN2CCCCC2CO)nc1.
What is the InChIKey of [1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol?
The InChIKey is MOHNPOBHKVXDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12-9-16-14(17-10-12)15-6-4-8-18-7-3-2-5-13(18)11-19/h9-10,13,19H,2-8,11H2,1H3,(H,15,16,17).
What are the key properties of [1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol?
[1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(5-methylpyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 72882614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).