6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione

C6H8ClN3O2 — CID 83867949

IUPAC6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione
SMILESC[C@H](N)c1[nH]c(=O)[nH]c(=O)c1Cl
InChIInChI=1S/C6H8ClN3O2/c1-2(8)4-3(7)5(11)10-6(12)9-4/h2H,8H2,1H3,(H2,9,10,11,12)/t2-/m0/s1
InChIKeyMISAKHMMGRDGNV-REOHCLBHSA-N
MW189.60 g/mol
LogP-0.26
Rot. Bonds1

About 6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione

6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione (PubChem CID 83867949) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione
PubChem CID83867949
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione
SMILESC[C@H](N)c1[nH]c(=O)[nH]c(=O)c1Cl
InChIInChI=1S/C6H8ClN3O2/c1-2(8)4-3(7)5(11)10-6(12)9-4/h2H,8H2,1H3,(H2,9,10,11,12)/t2-/m0/s1
InChIKeyMISAKHMMGRDGNV-REOHCLBHSA-N
XLogP-0.26
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione (CID 83867949) is 6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione is C[C@H](N)c1[nH]c(=O)[nH]c(=O)c1Cl.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione?
The InChIKey is MISAKHMMGRDGNV-REOHCLBHSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c1-2(8)4-3(7)5(11)10-6(12)9-4/h2H,8H2,1H3,(H2,9,10,11,12)/t2-/m0/s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione?
6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione has a molecular weight of 189.60 g/mol, XLogP of -0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-5-chloro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83867949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).