2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one

C12H19N3O3 — CID 114206190

IUPAC2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C2(OC)CCOCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-13-7-9-8-14-11(15-10(9)16)12(17-2)3-5-18-6-4-12/h8,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyMGSDPFWLCOUTBS-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.14
Rot. Bonds4

About 2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one

2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 114206190) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID114206190
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C2(OC)CCOCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-13-7-9-8-14-11(15-10(9)16)12(17-2)3-5-18-6-4-12/h8,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyMGSDPFWLCOUTBS-UHFFFAOYSA-N
XLogP0.14
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84131866
5-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 104189966
5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126
2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563471
5-(aminomethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 113563476
5-(aminomethyl)-2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 113563477
5-(chloromethyl)-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 114205214
2-(1-ethoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206192
2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206193
2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206201
2-(2-ethoxybutan-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206217
5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 114206228

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one (CID 114206190) is 2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1cnc(C2(OC)CCOCC2)[nH]c1=O.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is MGSDPFWLCOUTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-13-7-9-8-14-11(15-10(9)16)12(17-2)3-5-18-6-4-12/h8,13H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).