4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one

C10H16N4O — CID 83857339

IUPAC4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one
SMILESNc1cc(CC2CCCNC2)[nH]c(=O)n1
InChIInChI=1S/C10H16N4O/c11-9-5-8(13-10(15)14-9)4-7-2-1-3-12-6-7/h5,7,12H,1-4,6H2,(H3,11,13,14,15)
InChIKeyYDSMPYFQVZDDNA-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.11
Rot. Bonds2

About 4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one

4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one (PubChem CID 83857339) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one
PubChem CID83857339
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one
SMILESNc1cc(CC2CCCNC2)[nH]c(=O)n1
InChIInChI=1S/C10H16N4O/c11-9-5-8(13-10(15)14-9)4-7-2-1-3-12-6-7/h5,7,12H,1-4,6H2,(H3,11,13,14,15)
InChIKeyYDSMPYFQVZDDNA-UHFFFAOYSA-N
XLogP-0.11
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.11
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-3-ylmethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one (CID 83857339) is 4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one is Nc1cc(CC2CCCNC2)[nH]c(=O)n1.
What is the InChIKey of 4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one?
The InChIKey is YDSMPYFQVZDDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9-5-8(13-10(15)14-9)4-7-2-1-3-12-6-7/h5,7,12H,1-4,6H2,(H3,11,13,14,15).
What are the key properties of 4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one?
4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one has a molecular weight of 208.26 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(piperidin-3-ylmethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83857339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).