5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C10H14ClN3O2 — CID 136979559

IUPAC5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(CO)CC2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-9(12-6-13-10(8)16)14-3-1-7(5-15)2-4-14/h6-7,15H,1-5H2,(H,12,13,16)
InChIKeyWIKLSMBKSUMHRM-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.63
Rot. Bonds2

About 5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979559) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979559
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(CO)CC2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-9(12-6-13-10(8)16)14-3-1-7(5-15)2-4-14/h6-7,15H,1-5H2,(H,12,13,16)
InChIKeyWIKLSMBKSUMHRM-UHFFFAOYSA-N
XLogP0.63
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-6-({2-[4-(hydroxymethyl)piperidin-1-YL]ethyl}amino)-2-methylpyrimidin-4-OL
CID 137027883
5-chloro-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749168
5-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749178
4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136772452
5-chloro-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811798
5-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957337
6-[4-(Hydroxymethyl)piperidin-1-yl]-3,4-dihydropyrimidin-4-one
CID 136957338
4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972891
5-chloro-4-[(3-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136976227
5-chloro-4-[(4-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136976232
5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136976422
5-chloro-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136979510

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136979559) is 5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCC(CO)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is WIKLSMBKSUMHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-8-9(12-6-13-10(8)16)14-3-1-7(5-15)2-4-14/h6-7,15H,1-5H2,(H,12,13,16).
What are the key properties of 5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).