5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 114206318

IUPAC5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
SMILESCOC(c1ncc(CNC2CC2)c(=O)[nH]1)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)11(18-3)12-15-7-9(13(17)16-12)6-14-10-4-5-10/h7-8,10-11,14H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyQTFFZIKVCPWDNO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.37
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one

5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 114206318) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID114206318
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
SMILESCOC(c1ncc(CNC2CC2)c(=O)[nH]1)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)11(18-3)12-15-7-9(13(17)16-12)6-14-10-4-5-10/h7-8,10-11,14H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyQTFFZIKVCPWDNO-UHFFFAOYSA-N
XLogP1.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342
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-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 104189998
5-(aminomethyl)-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 113558363
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-[cyclopropyl(ethoxy)methyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206254

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one (CID 114206318) is 5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one is COC(c1ncc(CNC2CC2)c(=O)[nH]1)C(C)C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is QTFFZIKVCPWDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)11(18-3)12-15-7-9(13(17)16-12)6-14-10-4-5-10/h7-8,10-11,14H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one?
5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).