5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

C13H23N5O — CID 136958199

IUPAC5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCNC(C)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C13H23N5O/c1-3-15-9(2)10-5-4-6-18(7-10)12-11(14)13(19)17-8-16-12/h8-10,15H,3-7,14H2,1-2H3,(H,16,17,19)
InChIKeyBYQSIEVREFENCB-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.57
Rot. Bonds4

About 5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136958199) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136958199
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCNC(C)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C13H23N5O/c1-3-15-9(2)10-5-4-6-18(7-10)12-11(14)13(19)17-8-16-12/h8-10,15H,3-7,14H2,1-2H3,(H,16,17,19)
InChIKeyBYQSIEVREFENCB-UHFFFAOYSA-N
XLogP0.57
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 136958199) is 5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is CCNC(C)C1CCCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is BYQSIEVREFENCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-15-9(2)10-5-4-6-18(7-10)12-11(14)13(19)17-8-16-12/h8-10,15H,3-7,14H2,1-2H3,(H,16,17,19).
What are the key properties of 5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).