5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one

C10H16N4O2 — CID 114586350

IUPAC5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(15)13-6-14-10(8)16-5-7-1-3-12-4-2-7/h6-7,12H,1-5,11H2,(H,13,14,15)
InChIKeyBQKXAQUXHNAXOQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.27
Rot. Bonds3

About 5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one

5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586350) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586350
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(15)13-6-14-10(8)16-5-7-1-3-12-4-2-7/h6-7,12H,1-5,11H2,(H,13,14,15)
InChIKeyBQKXAQUXHNAXOQ-UHFFFAOYSA-N
XLogP-0.27
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586612
5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136978128
5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
3-(piperidin-4-ylmethoxy)quinoxalin-2-amine
CID 71644088
5-bromo-4-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136977748
5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
CID 103241618
5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574
5-amino-4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586594
3-(piperidin-4-ylmethoxy)pyrazine-2-carbonitrile
CID 62685373
5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103241706
4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586426
5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
CID 103241963

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one (CID 114586350) is 5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one is Nc1c(OCC2CCNCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is BQKXAQUXHNAXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8-9(15)13-6-14-10(8)16-5-7-1-3-12-4-2-7/h6-7,12H,1-5,11H2,(H,13,14,15).
What are the key properties of 5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one?
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).