CID 101200173

C10H13N2O4 — CID 101200173

IUPAC—
SMILESC=Cc1cc(=O)n(COC)c(=O)n1[CH]OC
InChIInChI=1S/C10H13N2O4/c1-4-8-5-9(13)12(7-16-3)10(14)11(8)6-15-2/h4-6H,1,7H2,2-3H3
InChIKeyONZXWUIXPQLHHR-UHFFFAOYSA-N
MW225.22 g/mol
LogP-0.13
Rot. Bonds5

About CID 101200173

CID 101200173 (PubChem CID 101200173) has the molecular formula C10H13N2O4 and a molecular weight of 225.22 g/mol.

Molecular Properties

Compound NameCID 101200173
PubChem CID101200173
Molecular FormulaC10H13N2O4
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name—
SMILESC=Cc1cc(=O)n(COC)c(=O)n1[CH]OC
InChIInChI=1S/C10H13N2O4/c1-4-8-5-9(13)12(7-16-3)10(14)11(8)6-15-2/h4-6H,1,7H2,2-3H3
InChIKeyONZXWUIXPQLHHR-UHFFFAOYSA-N
XLogP-0.13
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,6-Trimethyl-2,4(1H,3H)-pyrimidinedione
CID 26075
N(1),N(3)-Diallyl-6-methyluracil
CID 173882
1,6-Dimethyl-3-ethyluracil
CID 21627127
1,3-Diethyl-6-methyluracil
CID 12357931
1-Ethyl-3,6-dimethylpyrimidine-2,4-dione
CID 10866731
6-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethylpyrimidine-2,4-dione
CID 12470965
Bis(3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-1-pyrimidinyl)methane
CID 15503116
6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione
CID 122233041
6-[2-(Dimethylamino)-vinyl]-1,3-dimethyluracil
CID 123724068
[(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetra-hydropyrimidin-4-yl)methyl]lithium
CID 129741239
6-(2,2-Dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
CID 101200160
6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
CID 101200163

Frequently Asked Questions

What is the IUPAC name of CID 101200173?
The IUPAC name of CID 101200173 (CID 101200173) is not available.
What is the SMILES notation for CID 101200173?
The canonical SMILES for CID 101200173 is C=Cc1cc(=O)n(COC)c(=O)n1[CH]OC.
What is the InChIKey of CID 101200173?
The InChIKey is ONZXWUIXPQLHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O4/c1-4-8-5-9(13)12(7-16-3)10(14)11(8)6-15-2/h4-6H,1,7H2,2-3H3.
What are the key properties of CID 101200173?
CID 101200173 has a molecular weight of 225.22 g/mol, XLogP of -0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101200173 is sourced from PubChem (CID 101200173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).