5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one

C11H16ClN3O2 — CID 136827308

IUPAC5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CCCO)C2CCC2)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-9-10(13-7-14-11(9)17)15(5-2-6-16)8-3-1-4-8/h7-8,16H,1-6H2,(H,13,14,17)
InChIKeyKQQLIXFFKYFTBW-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.16
Rot. Bonds5

About 5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136827308) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
PubChem CID136827308
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CCCO)C2CCC2)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-9-10(13-7-14-11(9)17)15(5-2-6-16)8-3-1-4-8/h7-8,16H,1-6H2,(H,13,14,17)
InChIKeyKQQLIXFFKYFTBW-UHFFFAOYSA-N
XLogP1.16
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136827301
5-amino-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136827302
4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136827306
4-[cyclobutyl(3-hydroxypropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827307
5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827317
5-chloro-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973824
5-chloro-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136976221
5-chloro-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976718
5-chloro-4-(4-hydroxypentan-2-ylamino)-1H-pyrimidin-6-one
CID 136976757
5-chloro-4-[2-hydroxyethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136979523
5-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136979532
5-chloro-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136979572

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one (CID 136827308) is 5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(N(CCCO)C2CCC2)c1Cl.
What is the InChIKey of 5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is KQQLIXFFKYFTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-9-10(13-7-14-11(9)17)15(5-2-6-16)8-3-1-4-8/h7-8,16H,1-6H2,(H,13,14,17).
What are the key properties of 5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[cyclobutyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136827308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).