5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one

C10H15N3O2 — CID 116734541

IUPAC5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1ncc(CN)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H15N3O2/c1-15-8(6-2-3-6)9-12-5-7(4-11)10(14)13-9/h5-6,8H,2-4,11H2,1H3,(H,12,13,14)
InChIKeySCGUVRKTVFIELU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.33
Rot. Bonds4

About 5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one

5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 116734541) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID116734541
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1ncc(CN)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H15N3O2/c1-15-8(6-2-3-6)9-12-5-7(4-11)10(14)13-9/h5-6,8H,2-4,11H2,1H3,(H,12,13,14)
InChIKeySCGUVRKTVFIELU-UHFFFAOYSA-N
XLogP0.33
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 104189947
5-(aminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 104189996
5-(aminomethyl)-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 104189998
5-(aminomethyl)-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
CID 104190009
5-(aminomethyl)-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 113558363
2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206207
5-(ethylaminomethyl)-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 114206232
5-(ethylaminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 114206237
2-[cyclopropyl(ethoxy)methyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206254
2-(1-ethoxyethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206258
2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206260
2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206265

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 116734541) is 5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1ncc(CN)c(=O)[nH]1)C1CC1.
What is the InChIKey of 5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is SCGUVRKTVFIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-8(6-2-3-6)9-12-5-7(4-11)10(14)13-9/h5-6,8H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 116734541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).