4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one

C9H13N3O2 — CID 105448885

IUPAC4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(C2CCNC2)n1
InChIInChI=1S/C9H13N3O2/c1-14-8-4-7(13)11-9(12-8)6-2-3-10-5-6/h4,6,10H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyBHHOVMHDWFKZKL-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.14
Rot. Bonds2

About 4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one

4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one (PubChem CID 105448885) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
PubChem CID105448885
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(C2CCNC2)n1
InChIInChI=1S/C9H13N3O2/c1-14-8-4-7(13)11-9(12-8)6-2-3-10-5-6/h4,6,10H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyBHHOVMHDWFKZKL-UHFFFAOYSA-N
XLogP-0.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-2-(propan-2-yl)pyrimidin-4(3H)-one
CID 23338958
2-[1-(aminomethyl)cyclopropyl]-4-methoxy-1H-pyrimidin-6-one
CID 84062312
2-(Pyrrolidin-3-yl)-3,4-dihydropyrimidin-4-one
CID 84652110
2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241434
2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one
CID 105434066
4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 105439300
2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one
CID 105440513
2-(3-aminopropyl)-4-methoxy-1H-pyrimidin-6-one
CID 105440520
4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105448882
4-hydroxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 105448884
4-methoxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one
CID 105450686
4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105462840

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one (CID 105448885) is 4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(C2CCNC2)n1.
What is the InChIKey of 4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is BHHOVMHDWFKZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-8-4-7(13)11-9(12-8)6-2-3-10-5-6/h4,6,10H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 105448885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).