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

C7H11N3O2 — CID 89349123

IUPAC1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione
SMILESC[C@@H](N)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-5(8)4-10-3-2-6(11)9-7(10)12/h2-3,5H,4,8H2,1H3,(H,9,11,12)/t5-/m1/s1
InChIKeyCCWUXFXNCWVFRP-RXMQYKEDSA-N
MW169.18 g/mol
LogP-1.12
Rot. Bonds2

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

1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione (PubChem CID 89349123) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione
PubChem CID89349123
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione
SMILESC[C@@H](N)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-5(8)4-10-3-2-6(11)9-7(10)12/h2-3,5H,4,8H2,1H3,(H,9,11,12)/t5-/m1/s1
InChIKeyCCWUXFXNCWVFRP-RXMQYKEDSA-N
XLogP-1.12
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione (CID 89349123) is 1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione is C[C@@H](N)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione?
The InChIKey is CCWUXFXNCWVFRP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(8)4-10-3-2-6(11)9-7(10)12/h2-3,5H,4,8H2,1H3,(H,9,11,12)/t5-/m1/s1.
What are the key properties of 1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione?
1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 89349123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).