4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one

C11H17N3O4 — CID 168923664

IUPAC4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCC(O)Cc1c(O)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-7(15)6-8-9(16)12-11(13-10(8)17)14-2-4-18-5-3-14/h7,15H,2-6H2,1H3,(H2,12,13,16,17)
InChIKeyMKNOUVWXRQGZCT-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.76
Rot. Bonds3

About 4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one

4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 168923664) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID168923664
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCC(O)Cc1c(O)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-7(15)6-8-9(16)12-11(13-10(8)17)14-2-4-18-5-3-14/h7,15H,2-6H2,1H3,(H2,12,13,16,17)
InChIKeyMKNOUVWXRQGZCT-UHFFFAOYSA-N
XLogP-0.76
TPSA98.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 24845080
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
CID 135462710
4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride
CID 53314666
5-(2-hydroxyethyl)-4-(2-methoxyphenyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 174595005
6-chloro-8-(1-hydroxyethyl)-2-morpholin-4-yl-3H-quinazolin-4-one
CID 170753898
5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 137288209
2-[butan-2-yl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]acetic acid
CID 137108633
7-(3-methylbutyl)-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136880722
(2S,3S)-3-methyl-2-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid
CID 136990426
N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137302255
1'-(2-hydroxypropanoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584666
2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
CID 136990446

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 168923664) is 4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one is CC(O)Cc1c(O)nc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is MKNOUVWXRQGZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(15)6-8-9(16)12-11(13-10(8)17)14-2-4-18-5-3-14/h7,15H,2-6H2,1H3,(H2,12,13,16,17).
What are the key properties of 4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 255.27 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-hydroxypropyl)-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 168923664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).