5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C13H22N4O3 — CID 136781025

IUPAC5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCOCCN(CC1CCCN1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C13H22N4O3/c1-19-7-6-17(8-10-4-3-5-14-10)12-11(20-2)13(18)16-9-15-12/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyLZHRJRGFEIJQJC-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.02
Rot. Bonds7

About 5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136781025) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136781025
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCOCCN(CC1CCCN1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C13H22N4O3/c1-19-7-6-17(8-10-4-3-5-14-10)12-11(20-2)13(18)16-9-15-12/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyLZHRJRGFEIJQJC-UHFFFAOYSA-N
XLogP-0.02
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586291
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679992
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706904
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706915
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726439
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
5-methoxy-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734038
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136780740

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136781025) is 5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is COCCN(CC1CCCN1)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LZHRJRGFEIJQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-19-7-6-17(8-10-4-3-5-14-10)12-11(20-2)13(18)16-9-15-12/h9-10,14H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of 5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 282.34 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136781025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).