2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one

C7H11N3O2 — CID 105434063

IUPAC2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(CN)[nH]c(=O)c1C
InChIInChI=1S/C7H11N3O2/c1-4-6(11)9-5(3-8)10-7(4)12-2/h3,8H2,1-2H3,(H,9,10,11)
InChIKeyNSUQTQRFKYNRLC-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.45
Rot. Bonds2

About 2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one

2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 105434063) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
PubChem CID105434063
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(CN)[nH]c(=O)c1C
InChIInChI=1S/C7H11N3O2/c1-4-6(11)9-5(3-8)10-7(4)12-2/h3,8H2,1-2H3,(H,9,10,11)
InChIKeyNSUQTQRFKYNRLC-UHFFFAOYSA-N
XLogP-0.45
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 89301087
2-(Aminomethyl)-5,6-dimethylpyrimidin-4-ol
CID 136103101
2-(Aminomethyl)-6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one
CID 63553554
4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553742
2-(1-Aminoethyl)-6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one
CID 63553914
2-(2-Aminoethyl)-6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one
CID 63554281
6-Hydroxy-5-methyl-2-[(methylamino)methyl]-3,4-dihydropyrimidin-4-one
CID 63556049
2-(Aminomethyl)-5-ethyl-6-hydroxy-3,4-dihydropyrimidin-4-one
CID 63556052
2-(ethylaminomethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63556232
2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 79077481
2-(aminomethyl)-5-methyl-1H-pyrimidin-6-one
CID 84648395
2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one
CID 105430225

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (CID 105434063) is 2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is COc1nc(CN)[nH]c(=O)c1C.
What is the InChIKey of 2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is NSUQTQRFKYNRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-6(11)9-5(3-8)10-7(4)12-2/h3,8H2,1-2H3,(H,9,10,11).
What are the key properties of 2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 105434063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).