5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 114206316

IUPAC5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCOC(C)(C)c1ncc(CNC2CC2)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-12(2,17-3)11-14-7-8(10(16)15-11)6-13-9-4-5-9/h7,9,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyUSODAVXQFNOMFZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.90
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one

5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one (PubChem CID 114206316) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
PubChem CID114206316
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCOC(C)(C)c1ncc(CNC2CC2)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-12(2,17-3)11-14-7-8(10(16)15-11)6-13-9-4-5-9/h7,9,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyUSODAVXQFNOMFZ-UHFFFAOYSA-N
XLogP0.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.90
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-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 104189963
5-(aminomethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 104189964
5-(aminomethyl)-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 104189998
2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206193
2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206207
2-(2-ethoxybutan-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206217
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-(2-ethoxypropan-2-yl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206249
2-(1-ethoxyethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206258
2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206260

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one (CID 114206316) is 5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one is COC(C)(C)c1ncc(CNC2CC2)c(=O)[nH]1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is USODAVXQFNOMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,17-3)11-14-7-8(10(16)15-11)6-13-9-4-5-9/h7,9,13H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one?
5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).