5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one

C12H15N5O — CID 114206220

IUPAC5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESCCNCc1cnc(-c2ccnc(C)n2)[nH]c1=O
InChIInChI=1S/C12H15N5O/c1-3-13-6-9-7-15-11(17-12(9)18)10-4-5-14-8(2)16-10/h4-5,7,13H,3,6H2,1-2H3,(H,15,17,18)
InChIKeyZMDKUQINHLAKMG-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.64
Rot. Bonds4

About 5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one

5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one (PubChem CID 114206220) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
PubChem CID114206220
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESCCNCc1cnc(-c2ccnc(C)n2)[nH]c1=O
InChIInChI=1S/C12H15N5O/c1-3-13-6-9-7-15-11(17-12(9)18)10-4-5-14-8(2)16-10/h4-5,7,13H,3,6H2,1-2H3,(H,15,17,18)
InChIKeyZMDKUQINHLAKMG-UHFFFAOYSA-N
XLogP0.64
TPSA83.56 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 ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpyrimidin-4-yl)-1H-imidazol-5-ol
CID 137273176
4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
CID 136967413
5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
CID 115527441
3-(2-methylpyrimidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137012896
N-[[2-(4-methyl-2-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 63840568
5-(propylaminomethyl)-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 114206275
N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 114206436
N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine
CID 115529481
5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
CID 83893681
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
CID 23009284
5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one
CID 82446530

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one (CID 114206220) is 5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one is CCNCc1cnc(-c2ccnc(C)n2)[nH]c1=O.
What is the InChIKey of 5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is ZMDKUQINHLAKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-13-6-9-7-15-11(17-12(9)18)10-4-5-14-8(2)16-10/h4-5,7,13H,3,6H2,1-2H3,(H,15,17,18).
What are the key properties of 5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 245.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).