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

C14H21N3O2 — CID 136696601

IUPAC4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCOC2C2CC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-8(2)14-16-11(7-12(18)17-14)15-10-5-6-19-13(10)9-3-4-9/h7-10,13H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyOLOXZXNIALYITP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.87
Rot. Bonds4

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

4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136696601) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136696601
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCOC2C2CC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-8(2)14-16-11(7-12(18)17-14)15-10-5-6-19-13(10)9-3-4-9/h7-10,13H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyOLOXZXNIALYITP-UHFFFAOYSA-N
XLogP1.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136696601) is 4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC2CCOC2C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OLOXZXNIALYITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8(2)14-16-11(7-12(18)17-14)15-10-5-6-19-13(10)9-3-4-9/h7-10,13H,3-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136696601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).