1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol

C15H24N4O — CID 133300544

IUPAC1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNc2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C15H24N4O/c20-13-5-10-19(11-6-13)9-1-7-16-14-4-8-17-15(18-14)12-2-3-12/h4,8,12-13,20H,1-3,5-7,9-11H2,(H,16,17,18)
InChIKeyIEKMZXAGBKCALK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.61
Rot. Bonds6

About 1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol

1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol (PubChem CID 133300544) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol
PubChem CID133300544
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNc2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C15H24N4O/c20-13-5-10-19(11-6-13)9-1-7-16-14-4-8-17-15(18-14)12-2-3-12/h4,8,12-13,20H,1-3,5-7,9-11H2,(H,16,17,18)
InChIKeyIEKMZXAGBKCALK-UHFFFAOYSA-N
XLogP1.61
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.61
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-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol (CID 133300544) is 1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol is OC1CCN(CCCNc2ccnc(C3CC3)n2)CC1.
What is the InChIKey of 1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol?
The InChIKey is IEKMZXAGBKCALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-13-5-10-19(11-6-13)9-1-7-16-14-4-8-17-15(18-14)12-2-3-12/h4,8,12-13,20H,1-3,5-7,9-11H2,(H,16,17,18).
What are the key properties of 1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol?
1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol has a molecular weight of 276.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol is sourced from PubChem (CID 133300544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).