5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

C12H15N5O — CID 114206320

IUPAC5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2ncc(CNC3CC3)c(=O)[nH]2)cn1
InChIInChI=1S/C12H15N5O/c1-17-7-9(6-15-17)11-14-5-8(12(18)16-11)4-13-10-2-3-10/h5-7,10,13H,2-4H2,1H3,(H,14,16,18)
InChIKeyHXYHAZILOLCAPL-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.42
Rot. Bonds4

About 5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 114206320) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID114206320
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2ncc(CNC3CC3)c(=O)[nH]2)cn1
InChIInChI=1S/C12H15N5O/c1-17-7-9(6-15-17)11-14-5-8(12(18)16-11)4-13-10-2-3-10/h5-7,10,13H,2-4H2,1H3,(H,14,16,18)
InChIKeyHXYHAZILOLCAPL-UHFFFAOYSA-N
XLogP0.42
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-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

5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one
CID 114206328
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066
5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 114206324
N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 79778825
N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114929107
5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 63611285
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402
5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
CID 81250095
N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
CID 116793588
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
2-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206197

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 114206320) is 5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is Cn1cc(-c2ncc(CNC3CC3)c(=O)[nH]2)cn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is HXYHAZILOLCAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-7-9(6-15-17)11-14-5-8(12(18)16-11)4-13-10-2-3-10/h5-7,10,13H,2-4H2,1H3,(H,14,16,18).
What are the key properties of 5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 245.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).