1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione

C8H12N2O4 — CID 15957687

IUPAC1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@@H](O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O4/c1-5-2-10(3-6(12)4-11)8(14)9-7(5)13/h2,6,11-12H,3-4H2,1H3,(H,9,13,14)/t6-/m1/s1
InChIKeyICMFGTQEVBJAIG-ZCFIWIBFSA-N
MW200.19 g/mol
LogP-1.80
Rot. Bonds3

About 1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione

1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione (PubChem CID 15957687) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione
PubChem CID15957687
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@@H](O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O4/c1-5-2-10(3-6(12)4-11)8(14)9-7(5)13/h2,6,11-12H,3-4H2,1H3,(H,9,13,14)/t6-/m1/s1
InChIKeyICMFGTQEVBJAIG-ZCFIWIBFSA-N
XLogP-1.80
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(Hydroxymethyl)-2-(4-hydroxy-5-methyl-2-oxo-pyrimidin-1-yl)ethoxy]methylphosphonic acid
CID 490681
Phosphonic acid, ((2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-
CID 451932
N-(2-(Hydroxyethoxy)methyl)-5-methyluracil
CID 72358
(R,S)-1-(1-(2-Hydroxyethoxy)-3-hydroxypropyl)thymine
CID 451951
1-[(2S)-2,3-dihydroxypropyl]pyrimidine-2,4-dione
CID 1516848
1-[(1,3-Dihydroxy-2-propoxy)methyl]-5-methyluracil
CID 3010089
Acq2hmx3P6
CID 12803290
(S)-3-(2,3-Dihydroxypropyl)thymine
CID 12803292
1-(2-Hydroxyethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 566009
1-((2-Azido-1-(hydroxymethyl)ethoxy)methyl)thymine
CID 130940
1-[[2-Hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5-(hydroxymethyl)pyrimidine-2,4-dione
CID 11637356
2R,3s-1-[[1,3-Dihydroxy-4-fluoro-2-butoxy]methyl]thymine
CID 581104

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione (CID 15957687) is 1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C[C@@H](O)CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is ICMFGTQEVBJAIG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5-2-10(3-6(12)4-11)8(14)9-7(5)13/h2,6,11-12H,3-4H2,1H3,(H,9,13,14)/t6-/m1/s1.
What are the key properties of 1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione?
1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 200.19 g/mol, XLogP of -1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 15957687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).