[1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol

C15H27N5O — CID 72910877

IUPAC[1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCCc1cnc(N)nc1NCCCN1CCCCC1CO
InChIInChI=1S/C15H27N5O/c1-2-12-10-18-15(16)19-14(12)17-7-5-9-20-8-4-3-6-13(20)11-21/h10,13,21H,2-9,11H2,1H3,(H3,16,17,18,19)
InChIKeyJPGQFGPCNBGDHS-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.27
Rot. Bonds7

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

[1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol (PubChem CID 72910877) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is [1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol
PubChem CID72910877
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name[1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCCc1cnc(N)nc1NCCCN1CCCCC1CO
InChIInChI=1S/C15H27N5O/c1-2-12-10-18-15(16)19-14(12)17-7-5-9-20-8-4-3-6-13(20)11-21/h10,13,21H,2-9,11H2,1H3,(H3,16,17,18,19)
InChIKeyJPGQFGPCNBGDHS-UHFFFAOYSA-N
XLogP1.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol (CID 72910877) is [1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol is CCc1cnc(N)nc1NCCCN1CCCCC1CO.
What is the InChIKey of [1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol?
The InChIKey is JPGQFGPCNBGDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-2-12-10-18-15(16)19-14(12)17-7-5-9-20-8-4-3-6-13(20)11-21/h10,13,21H,2-9,11H2,1H3,(H3,16,17,18,19).
What are the key properties of [1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol?
[1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(2-amino-5-ethylpyrimidin-4-yl)amino]propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 72910877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).