1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione

C10H13ClN2O4 — CID 512159

IUPAC1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C[C@]2(CO)C[C@H]2CO)cc1Cl
InChIInChI=1S/C10H13ClN2O4/c11-7-2-13(9(17)12-8(7)16)4-10(5-15)1-6(10)3-14/h2,6,14-15H,1,3-5H2,(H,12,16,17)/t6-,10-/m0/s1
InChIKeyYQYMJPUCMXZLSB-WKEGUHRASA-N
MW260.68 g/mol
LogP-0.82
Rot. Bonds4

About 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione

1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione (PubChem CID 512159) has the molecular formula C10H13ClN2O4 and a molecular weight of 260.68 g/mol. Its IUPAC name is 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione
PubChem CID512159
Molecular FormulaC10H13ClN2O4
Molecular Weight260.68 g/mol
Exact Mass260.06
IUPAC Name1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C[C@]2(CO)C[C@H]2CO)cc1Cl
InChIInChI=1S/C10H13ClN2O4/c11-7-2-13(9(17)12-8(7)16)4-10(5-15)1-6(10)3-14/h2,6,14-15H,1,3-5H2,(H,12,16,17)/t6-,10-/m0/s1
InChIKeyYQYMJPUCMXZLSB-WKEGUHRASA-N
XLogP-0.82
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 5-0.82
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]-5-chloropyrimidine-2,4-dione?
The IUPAC name of 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione (CID 512159) is 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione.
What is the SMILES notation for 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione?
The canonical SMILES for 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione is O=c1[nH]c(=O)n(C[C@]2(CO)C[C@H]2CO)cc1Cl.
What is the InChIKey of 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione?
The InChIKey is YQYMJPUCMXZLSB-WKEGUHRASA-N. The full InChI is InChI=1S/C10H13ClN2O4/c11-7-2-13(9(17)12-8(7)16)4-10(5-15)1-6(10)3-14/h2,6,14-15H,1,3-5H2,(H,12,16,17)/t6-,10-/m0/s1.
What are the key properties of 1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione?
1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione has a molecular weight of 260.68 g/mol, XLogP of -0.82, 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]-5-chloropyrimidine-2,4-dione is sourced from PubChem (CID 512159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).