1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione

C14H18N4O6 — CID 24752409

IUPAC1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@@H](O)[C@H](O)Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O6/c1-7-3-17(13(23)15-11(7)21)5-9(19)10(20)6-18-4-8(2)12(22)16-14(18)24/h3-4,9-10,19-20H,5-6H2,1-2H3,(H,15,21,23)(H,16,22,24)/t9-,10-/m1/s1
InChIKeyWCVDJBWLRFPRRW-NXEZZACHSA-N
MW338.32 g/mol
LogP-2.57
Rot. Bonds5

About 1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione

1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione (PubChem CID 24752409) has the molecular formula C14H18N4O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is 1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
PubChem CID24752409
Molecular FormulaC14H18N4O6
Molecular Weight338.32 g/mol
Exact Mass338.12
IUPAC Name1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@@H](O)[C@H](O)Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O6/c1-7-3-17(13(23)15-11(7)21)5-9(19)10(20)6-18-4-8(2)12(22)16-14(18)24/h3-4,9-10,19-20H,5-6H2,1-2H3,(H,15,21,23)(H,16,22,24)/t9-,10-/m1/s1
InChIKeyWCVDJBWLRFPRRW-NXEZZACHSA-N
XLogP-2.57
TPSA150.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione;methylsulfinylmethane;dihydrate
CID 139190226
ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
CID 101070065
[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium
CID 7289782
1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione
CID 163296260
5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
CID 69344214
5-methyl-1-[(2S)-2,4,4-trimethylpentyl]pyrimidine-2,4-dione
CID 170680091
[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid
CID 23628543
1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione
CID 124896644
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
cyanomethyl 2-amino-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate;hydrochloride
CID 154977941
dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione
CID 11659294
1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione
CID 70515654

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione (CID 24752409) is 1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C[C@@H](O)[C@H](O)Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is WCVDJBWLRFPRRW-NXEZZACHSA-N. The full InChI is InChI=1S/C14H18N4O6/c1-7-3-17(13(23)15-11(7)21)5-9(19)10(20)6-18-4-8(2)12(22)16-14(18)24/h3-4,9-10,19-20H,5-6H2,1-2H3,(H,15,21,23)(H,16,22,24)/t9-,10-/m1/s1.
What are the key properties of 1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 338.32 g/mol, XLogP of -2.57, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 24752409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).