5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione

C9H13N3O3 — CID 106929489

IUPAC5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione
SMILESNc1cn(COCC2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c10-7-3-12(9(14)11-8(7)13)5-15-4-6-1-2-6/h3,6H,1-2,4-5,10H2,(H,11,13,14)
InChIKeyGXMBJOJPEVRGAT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.50
Rot. Bonds4

About 5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione

5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 106929489) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID106929489
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione
SMILESNc1cn(COCC2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c10-7-3-12(9(14)11-8(7)13)5-15-4-6-1-2-6/h3,6H,1-2,4-5,10H2,(H,11,13,14)
InChIKeyGXMBJOJPEVRGAT-UHFFFAOYSA-N
XLogP-0.50
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione (CID 106929489) is 5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione is Nc1cn(COCC2CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is GXMBJOJPEVRGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-7-3-12(9(14)11-8(7)13)5-15-4-6-1-2-6/h3,6H,1-2,4-5,10H2,(H,11,13,14).
What are the key properties of 5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione?
5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 211.22 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106929489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).