[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol

C16H28N4O — CID 80756838

IUPAC[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCCCNc1ncnc(N2CCC(CO)CC2)c1CCC
InChIInChI=1S/C16H28N4O/c1-3-5-14-15(17-8-4-2)18-12-19-16(14)20-9-6-13(11-21)7-10-20/h12-13,21H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyDZMCVSZEYKMPQN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.46
Rot. Bonds7

About [1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol

[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 80756838) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID80756838
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCCCNc1ncnc(N2CCC(CO)CC2)c1CCC
InChIInChI=1S/C16H28N4O/c1-3-5-14-15(17-8-4-2)18-12-19-16(14)20-9-6-13(11-21)7-10-20/h12-13,21H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyDZMCVSZEYKMPQN-UHFFFAOYSA-N
XLogP2.46
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (CID 80756838) is [1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol is CCCNc1ncnc(N2CCC(CO)CC2)c1CCC.
What is the InChIKey of [1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is DZMCVSZEYKMPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-5-14-15(17-8-4-2)18-12-19-16(14)20-9-6-13(11-21)7-10-20/h12-13,21H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of [1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 292.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 80756838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).