[1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol

C15H26N4O — CID 72906961

IUPAC[1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCc1ncnc(NCCCN2CCCCC2CO)c1C
InChIInChI=1S/C15H26N4O/c1-12-13(2)17-11-18-15(12)16-7-5-9-19-8-4-3-6-14(19)10-20/h11,14,20H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyYJBRXXQFSCNQRV-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.74
Rot. Bonds6

About [1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol

[1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol (PubChem CID 72906961) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol
PubChem CID72906961
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCc1ncnc(NCCCN2CCCCC2CO)c1C
InChIInChI=1S/C15H26N4O/c1-12-13(2)17-11-18-15(12)16-7-5-9-19-8-4-3-6-14(19)10-20/h11,14,20H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyYJBRXXQFSCNQRV-UHFFFAOYSA-N
XLogP1.74
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of [1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol (CID 72906961) is [1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol is Cc1ncnc(NCCCN2CCCCC2CO)c1C.
What is the InChIKey of [1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol?
The InChIKey is YJBRXXQFSCNQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-13(2)17-11-18-15(12)16-7-5-9-19-8-4-3-6-14(19)10-20/h11,14,20H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of [1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol?
[1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(5,6-dimethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 72906961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).