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

C12H20N4O2 — CID 136780980

IUPAC4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC1CCCN1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H20N4O2/c1-3-16(7-9-5-4-6-13-9)11-10(18-2)12(17)15-8-14-11/h8-9,13H,3-7H2,1-2H3,(H,14,15,17)
InChIKeySQVJTBPAHHEMGD-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.36
Rot. Bonds5

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

4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136780980) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136780980
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC1CCCN1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H20N4O2/c1-3-16(7-9-5-4-6-13-9)11-10(18-2)12(17)15-8-14-11/h8-9,13H,3-7H2,1-2H3,(H,14,15,17)
InChIKeySQVJTBPAHHEMGD-UHFFFAOYSA-N
XLogP0.36
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114585476
4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
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-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136687969
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
4-(2,4-dimethyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726422
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

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136780980) is 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCN(CC1CCCN1)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is SQVJTBPAHHEMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-16(7-9-5-4-6-13-9)11-10(18-2)12(17)15-8-14-11/h8-9,13H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136780980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).