5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one

C11H19N5O2 — CID 136989851

IUPAC5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNCCOC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H19N5O2/c12-3-6-18-8-1-4-16(5-2-8)10-9(13)11(17)15-7-14-10/h7-8H,1-6,12-13H2,(H,14,15,17)
InChIKeySEACUMIFGAIWBL-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.70
Rot. Bonds4

About 5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136989851) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136989851
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNCCOC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H19N5O2/c12-3-6-18-8-1-4-16(5-2-8)10-9(13)11(17)15-7-14-10/h7-8H,1-6,12-13H2,(H,14,15,17)
InChIKeySEACUMIFGAIWBL-UHFFFAOYSA-N
XLogP-0.70
TPSA110.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009406
5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958154
5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136978310
5-amino-4-[3-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972878
5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978043
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958827
3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 82692612
5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978978
5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575716
5-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575715
2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyethanamine
CID 82692403
5-amino-4-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136978294

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136989851) is 5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one is NCCOC1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is SEACUMIFGAIWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c12-3-6-18-8-1-4-16(5-2-8)10-9(13)11(17)15-7-14-10/h7-8H,1-6,12-13H2,(H,14,15,17).
What are the key properties of 5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 253.31 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).