2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one

C12H19N3O2 — CID 114586290

IUPAC2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2CCCN2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)12-14-10(16)6-11(15-12)17-7-9-4-3-5-13-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyVEQUAHVPRTXKQH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.02
Rot. Bonds4

About 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one

2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586290) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586290
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2CCCN2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)12-14-10(16)6-11(15-12)17-7-9-4-3-5-13-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyVEQUAHVPRTXKQH-UHFFFAOYSA-N
XLogP1.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634235
2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634714
2-cyclopropyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241402
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241410
2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241434
4-[(1-methylpiperidin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241704
2-cyclopropyl-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 103241875
4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241885
2-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 113604862
2-propan-2-yl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604863
2-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604868
2-cyclopropyl-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 113604872

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one (CID 114586290) is 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one is CC(C)c1nc(OCC2CCCN2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is VEQUAHVPRTXKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)12-14-10(16)6-11(15-12)17-7-9-4-3-5-13-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).