5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one

C11H19N5O — CID 135568308

IUPAC5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCN2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C11H19N5O/c12-9-10(14-8-15-11(9)17)13-4-7-16-5-2-1-3-6-16/h8H,1-7,12H2,(H2,13,14,15,17)
InChIKeyGCWSSPFDVSDEMU-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.25
Rot. Bonds4

About 5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 135568308) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
PubChem CID135568308
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCN2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C11H19N5O/c12-9-10(14-8-15-11(9)17)13-4-7-16-5-2-1-3-6-16/h8H,1-7,12H2,(H2,13,14,15,17)
InChIKeyGCWSSPFDVSDEMU-UHFFFAOYSA-N
XLogP0.25
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one (CID 135568308) is 5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one is Nc1c(NCCN2CCCCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is GCWSSPFDVSDEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-9-10(14-8-15-11(9)17)13-4-7-16-5-2-1-3-6-16/h8H,1-7,12H2,(H2,13,14,15,17).
What are the key properties of 5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135568308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).