4-(piperidin-3-ylamino)-1H-pyrimidin-6-one

C9H14N4O — CID 136978103

IUPAC4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCCNC2)nc[nH]1
InChIInChI=1S/C9H14N4O/c14-9-4-8(11-6-12-9)13-7-2-1-3-10-5-7/h4,6-7,10H,1-3,5H2,(H2,11,12,13,14)
InChIKeyOFWJKNTWZRIJOP-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.07
Rot. Bonds2

About 4-(piperidin-3-ylamino)-1H-pyrimidin-6-one

4-(piperidin-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136978103) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(piperidin-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136978103
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCCNC2)nc[nH]1
InChIInChI=1S/C9H14N4O/c14-9-4-8(11-6-12-9)13-7-2-1-3-10-5-7/h4,6-7,10H,1-3,5H2,(H2,11,12,13,14)
InChIKeyOFWJKNTWZRIJOP-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 4-(piperidin-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(piperidin-3-ylamino)-1H-pyrimidin-6-one (CID 136978103) is 4-(piperidin-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(piperidin-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(piperidin-3-ylamino)-1H-pyrimidin-6-one is O=c1cc(NC2CCCNC2)nc[nH]1.
What is the InChIKey of 4-(piperidin-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is OFWJKNTWZRIJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9-4-8(11-6-12-9)13-7-2-1-3-10-5-7/h4,6-7,10H,1-3,5H2,(H2,11,12,13,14).
What are the key properties of 4-(piperidin-3-ylamino)-1H-pyrimidin-6-one?
4-(piperidin-3-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 4-(piperidin-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).