4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one

C12H17N3O3 — CID 136696600

IUPAC4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCOC2C2CC2)nc[nH]c1=O
InChIInChI=1S/C12H17N3O3/c1-17-10-11(13-6-14-12(10)16)15-8-4-5-18-9(8)7-2-3-7/h6-9H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyHTSPLJYGEDXCSA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.76
Rot. Bonds4

About 4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136696600) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136696600
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCOC2C2CC2)nc[nH]c1=O
InChIInChI=1S/C12H17N3O3/c1-17-10-11(13-6-14-12(10)16)15-8-4-5-18-9(8)7-2-3-7/h6-9H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyHTSPLJYGEDXCSA-UHFFFAOYSA-N
XLogP0.76
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136696600) is 4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2CCOC2C2CC2)nc[nH]c1=O.
What is the InChIKey of 4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is HTSPLJYGEDXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-10-11(13-6-14-12(10)16)15-8-4-5-18-9(8)7-2-3-7/h6-9H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 251.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136696600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).