1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione

C10H14N2O4 — CID 512157

IUPAC1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C[C@]2(CO)C[C@H]2CO)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c13-4-7-3-10(7,6-14)5-12-2-1-8(15)11-9(12)16/h1-2,7,13-14H,3-6H2,(H,11,15,16)/t7-,10-/m0/s1
InChIKeyGNBGMWWIIRFXFM-XVKPBYJWSA-N
MW226.23 g/mol
LogP-1.47
Rot. Bonds4

About 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione

1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione (PubChem CID 512157) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione
PubChem CID512157
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C[C@]2(CO)C[C@H]2CO)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c13-4-7-3-10(7,6-14)5-12-2-1-8(15)11-9(12)16/h1-2,7,13-14H,3-6H2,(H,11,15,16)/t7-,10-/m0/s1
InChIKeyGNBGMWWIIRFXFM-XVKPBYJWSA-N
XLogP-1.47
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione (CID 512157) is 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione is O=c1ccn(C[C@]2(CO)C[C@H]2CO)c(=O)[nH]1.
What is the InChIKey of 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione?
The InChIKey is GNBGMWWIIRFXFM-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-4-7-3-10(7,6-14)5-12-2-1-8(15)11-9(12)16/h1-2,7,13-14H,3-6H2,(H,11,15,16)/t7-,10-/m0/s1.
What are the key properties of 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione?
1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione has a molecular weight of 226.23 g/mol, XLogP of -1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 512157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).