3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one

C11H17N3O — CID 62562381

IUPAC3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNCC2CC2)cn1
InChIInChI=1S/C11H17N3O/c1-9-6-11(15)14(8-13-9)5-4-12-7-10-2-3-10/h6,8,10,12H,2-5,7H2,1H3
InChIKeyOGWHKLCDCSCSMC-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.55
Rot. Bonds5

About 3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one

3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one (PubChem CID 62562381) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one
PubChem CID62562381
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNCC2CC2)cn1
InChIInChI=1S/C11H17N3O/c1-9-6-11(15)14(8-13-9)5-4-12-7-10-2-3-10/h6,8,10,12H,2-5,7H2,1H3
InChIKeyOGWHKLCDCSCSMC-UHFFFAOYSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-(4-cyclopropyl-6-oxopyrimidin-1(6H)-yl)ethyl)propionamide
CID 121016738
3-(2-Aminoethyl)-6-methylpyrimidin-4-one
CID 33676427
Pyrimidine, 2-(1-methylethyl)-4-hydroxy-6-[(dimethylamino)methyl]-
CID 135703346
Pyrimidin-6-ol, 4-(diethylamino)methyl-2-isopropyl-
CID 135703348
3-(Azetidin-2-ylmethyl)-6-cyclopropylpyrimidin-4-one
CID 179050247
N-cyclopropyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534907
N-cyclopropyl-2-(6-oxo-4-propylpyrimidin-1(6H)-yl)acetamide
CID 45535056
N-cyclopropyl-2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45535218
2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)-N-propylacetamide
CID 45535281
6-Methyl-3-[4-(2-methylpropylamino)butyl]pyrimidin-4-one
CID 55088223
6-Methyl-3-[2-(4-methylpentylamino)ethyl]pyrimidin-4-one
CID 55088274
3-[2-(3,3-Dimethylbutylamino)ethyl]-6-methylpyrimidin-4-one
CID 55088318

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one (CID 62562381) is 3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CCNCC2CC2)cn1.
What is the InChIKey of 3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is OGWHKLCDCSCSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-6-11(15)14(8-13-9)5-4-12-7-10-2-3-10/h6,8,10,12H,2-5,7H2,1H3.
What are the key properties of 3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 62562381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).