1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione

C8H13N3O2 — CID 89349117

IUPAC1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione
SMILESC[C@@H](N)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-6(9)5-11-4-3-7(12)10(2)8(11)13/h3-4,6H,5,9H2,1-2H3/t6-/m1/s1
InChIKeyNYUQEVZEVIURHF-ZCFIWIBFSA-N
MW183.21 g/mol
LogP-1.11
Rot. Bonds2

About 1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione

1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione (PubChem CID 89349117) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione
PubChem CID89349117
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione
SMILESC[C@@H](N)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-6(9)5-11-4-3-7(12)10(2)8(11)13/h3-4,6H,5,9H2,1-2H3/t6-/m1/s1
InChIKeyNYUQEVZEVIURHF-ZCFIWIBFSA-N
XLogP-1.11
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione (CID 89349117) is 1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione is C[C@@H](N)Cn1ccc(=O)n(C)c1=O.
What is the InChIKey of 1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is NYUQEVZEVIURHF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(9)5-11-4-3-7(12)10(2)8(11)13/h3-4,6H,5,9H2,1-2H3/t6-/m1/s1.
What are the key properties of 1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione?
1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 89349117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).