4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one

C10H15N3O2 — CID 105462840

IUPAC4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CC2CCNC2)n1
InChIInChI=1S/C10H15N3O2/c1-15-10-5-9(14)12-8(13-10)4-7-2-3-11-6-7/h5,7,11H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyYTQQXSBIHZJNFN-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.07
Rot. Bonds3

About 4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one

4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 105462840) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID105462840
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CC2CCNC2)n1
InChIInChI=1S/C10H15N3O2/c1-15-10-5-9(14)12-8(13-10)4-7-2-3-11-6-7/h5,7,11H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyYTQQXSBIHZJNFN-UHFFFAOYSA-N
XLogP-0.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 105439300
2-(3-aminopropyl)-4-methoxy-1H-pyrimidin-6-one
CID 105440520
4-hydroxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105448882
4-methoxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 105448885
4-methoxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one
CID 105450686
4-hydroxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105462839
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105462842
4-methoxy-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 105462846
4-methoxy-5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 105462847
4-methoxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 105462848
4-methoxy-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105480515
4-methoxy-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 105480518

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (CID 105462840) is 4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(CC2CCNC2)n1.
What is the InChIKey of 4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is YTQQXSBIHZJNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-10-5-9(14)12-8(13-10)4-7-2-3-11-6-7/h5,7,11H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of 4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.07, 3 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-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105462840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).