2-(piperidin-4-ylamino)-1H-pyrimidin-6-one

C9H14N4O — CID 58972433

IUPAC2-(piperidin-4-ylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NC2CCNCC2)[nH]1
InChIInChI=1S/C9H14N4O/c14-8-3-6-11-9(13-8)12-7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H2,11,12,13,14)
InChIKeyZTNYXGNUBBOERA-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.07
Rot. Bonds2

About 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one

2-(piperidin-4-ylamino)-1H-pyrimidin-6-one (PubChem CID 58972433) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)-1H-pyrimidin-6-one
PubChem CID58972433
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(piperidin-4-ylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NC2CCNCC2)[nH]1
InChIInChI=1S/C9H14N4O/c14-8-3-6-11-9(13-8)12-7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H2,11,12,13,14)
InChIKeyZTNYXGNUBBOERA-UHFFFAOYSA-N
XLogP-0.07
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one (CID 58972433) is 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one is O=c1ccnc(NC2CCNCC2)[nH]1.
What is the InChIKey of 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one?
The InChIKey is ZTNYXGNUBBOERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-8-3-6-11-9(13-8)12-7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H2,11,12,13,14).
What are the key properties of 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one?
2-(piperidin-4-ylamino)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 58972433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).