1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol

C13H22N4O — CID 72838276

IUPAC1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCc1cnc(NCC(O)CN2CCCCC2)nc1
InChIInChI=1S/C13H22N4O/c1-11-7-14-13(15-8-11)16-9-12(18)10-17-5-3-2-4-6-17/h7-8,12,18H,2-6,9-10H2,1H3,(H,14,15,16)
InChIKeyZSNULFDDRAGXTR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.04
Rot. Bonds5

About 1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol

1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol (PubChem CID 72838276) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol
PubChem CID72838276
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCc1cnc(NCC(O)CN2CCCCC2)nc1
InChIInChI=1S/C13H22N4O/c1-11-7-14-13(15-8-11)16-9-12(18)10-17-5-3-2-4-6-17/h7-8,12,18H,2-6,9-10H2,1H3,(H,14,15,16)
InChIKeyZSNULFDDRAGXTR-UHFFFAOYSA-N
XLogP1.04
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol (CID 72838276) is 1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol is Cc1cnc(NCC(O)CN2CCCCC2)nc1.
What is the InChIKey of 1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is ZSNULFDDRAGXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-7-14-13(15-8-11)16-9-12(18)10-17-5-3-2-4-6-17/h7-8,12,18H,2-6,9-10H2,1H3,(H,14,15,16).
What are the key properties of 1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol?
1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 250.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 72838276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).