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

C11H18N4O3 — CID 136989614

IUPAC5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCC(OCCO)CC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O3/c12-9-10(13-7-14-11(9)17)15-3-1-8(2-4-15)18-6-5-16/h7-8,16H,1-6,12H2,(H,13,14,17)
InChIKeyFBNVSYGFJJDNMZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.67
Rot. Bonds4

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

5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136989614) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136989614
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCC(OCCO)CC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O3/c12-9-10(13-7-14-11(9)17)15-3-1-8(2-4-15)18-6-5-16/h7-8,16H,1-6,12H2,(H,13,14,17)
InChIKeyFBNVSYGFJJDNMZ-UHFFFAOYSA-N
XLogP-0.67
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730525
5-amino-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811790
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136958054
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958056
2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 136958925
5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 136973331
5-amino-4-(2-piperidin-4-yloxyethylamino)-1H-pyrimidin-6-one
CID 136978188
5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
CID 136978197
5-amino-4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136978748
5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136979509
5-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136979515
5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
CID 136979598

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136989614) is 5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one is Nc1c(N2CCC(OCCO)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is FBNVSYGFJJDNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c12-9-10(13-7-14-11(9)17)15-3-1-8(2-4-15)18-6-5-16/h7-8,16H,1-6,12H2,(H,13,14,17).
What are the key properties of 5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of -0.67, 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-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).