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

C13H21N3O2 — CID 136948172

IUPAC4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2(C)CCOC2C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)12-14-10(7-11(17)15-12)16-13(4)5-6-18-9(13)3/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyGICHPBPZSRDVMX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.87
Rot. Bonds3

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

4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136948172) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136948172
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2(C)CCOC2C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)12-14-10(7-11(17)15-12)16-13(4)5-6-18-9(13)3/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyGICHPBPZSRDVMX-UHFFFAOYSA-N
XLogP1.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
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-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136948172) is 4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC2(C)CCOC2C)cc(=O)[nH]1.
What is the InChIKey of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GICHPBPZSRDVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)12-14-10(7-11(17)15-12)16-13(4)5-6-18-9(13)3/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136948172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).