CID 157397533

C4H4N2O2Sn — CID 157397533

IUPAC—
SMILESO=c1cc[nH]c(=O)[nH]1.[Sn]
InChIInChI=1S/C4H4N2O2.Sn/c7-3-1-2-5-4(8)6-3;/h1-2H,(H2,5,6,7,8);
InChIKeyBMTFIZXWJYYHKS-UHFFFAOYSA-N
MW230.80 g/mol
LogP-1.32
Rot. Bonds

About CID 157397533

CID 157397533 (PubChem CID 157397533) has the molecular formula C4H4N2O2Sn and a molecular weight of 230.80 g/mol.

Molecular Properties

Compound NameCID 157397533
PubChem CID157397533
Molecular FormulaC4H4N2O2Sn
Molecular Weight230.80 g/mol
Exact Mass231.93
IUPAC Name—
SMILESO=c1cc[nH]c(=O)[nH]1.[Sn]
InChIInChI=1S/C4H4N2O2.Sn/c7-3-1-2-5-4(8)6-3;/h1-2H,(H2,5,6,7,8);
InChIKeyBMTFIZXWJYYHKS-UHFFFAOYSA-N
XLogP-1.32
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.80
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Uracil
CID 1174
3-Methyluracil
CID 79066
1-Methyluracil
CID 12009
1-Ethyluracil
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1-Amino-1,2,3,4-tetrahydropyrimidine-2,4-dione
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6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 652709
1-Allyl-5-fluorouracil
CID 342611
1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
CID 489883
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile
CID 1940239
Uracil C-13, 2-
CID 10171240
6-(methylamino)pyrimidine-2,4(1H,3H)-dione
CID 255440
Uracil-2-propenal
CID 6439796

Frequently Asked Questions

What is the IUPAC name of CID 157397533?
The IUPAC name of CID 157397533 (CID 157397533) is not available.
What is the SMILES notation for CID 157397533?
The canonical SMILES for CID 157397533 is O=c1cc[nH]c(=O)[nH]1.[Sn].
What is the InChIKey of CID 157397533?
The InChIKey is BMTFIZXWJYYHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.Sn/c7-3-1-2-5-4(8)6-3;/h1-2H,(H2,5,6,7,8);.
What are the key properties of CID 157397533?
CID 157397533 has a molecular weight of 230.80 g/mol, XLogP of -1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157397533 is sourced from PubChem (CID 157397533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).