4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one

C9H14N4O — CID 83857318

IUPAC4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one
SMILESNc1cc(C2CCNCC2)[nH]c(=O)n1
InChIInChI=1S/C9H14N4O/c10-8-5-7(12-9(14)13-8)6-1-3-11-4-2-6/h5-6,11H,1-4H2,(H3,10,12,13,14)
InChIKeyXNBFZHFLFYDYMV-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.18
Rot. Bonds1

About 4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one

4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one (PubChem CID 83857318) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one
PubChem CID83857318
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one
SMILESNc1cc(C2CCNCC2)[nH]c(=O)n1
InChIInChI=1S/C9H14N4O/c10-8-5-7(12-9(14)13-8)6-1-3-11-4-2-6/h5-6,11H,1-4H2,(H3,10,12,13,14)
InChIKeyXNBFZHFLFYDYMV-UHFFFAOYSA-N
XLogP-0.18
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one (CID 83857318) is 4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one is Nc1cc(C2CCNCC2)[nH]c(=O)n1.
What is the InChIKey of 4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one?
The InChIKey is XNBFZHFLFYDYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8-5-7(12-9(14)13-8)6-1-3-11-4-2-6/h5-6,11H,1-4H2,(H3,10,12,13,14).
What are the key properties of 4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one?
4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-piperidin-4-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 83857318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).