1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one

C9H9N5O — CID 103057009

IUPAC1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one
SMILESNc1cnc(Cn2cccnc2=O)cn1
InChIInChI=1S/C9H9N5O/c10-8-5-12-7(4-13-8)6-14-3-1-2-11-9(14)15/h1-5H,6H2,(H2,10,13)
InChIKeyBFLXTSIIJIJGKP-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.34
Rot. Bonds2

About 1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one

1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one (PubChem CID 103057009) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one
PubChem CID103057009
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one
SMILESNc1cnc(Cn2cccnc2=O)cn1
InChIInChI=1S/C9H9N5O/c10-8-5-12-7(4-13-8)6-14-3-1-2-11-9(14)15/h1-5H,6H2,(H2,10,13)
InChIKeyBFLXTSIIJIJGKP-UHFFFAOYSA-N
XLogP-0.34
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one
CID 62464183
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrimidin-2-one
CID 116618391
1-[(2S)-2-aminopropyl]pyrimidin-2-one
CID 30429240
1-[(5-aminothiadiazol-4-yl)methyl]pyrimidin-2-one
CID 62209184
1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
1-(2-aminobutyl)pyrimidin-2-one
CID 62040793
1-[(2R)-2,3-dihydroxypropyl]pyrimidin-2-one
CID 130130720
5-(piperazin-1-ylmethyl)pyrazin-2-amine
CID 117213222
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidin-2-one
CID 79774257
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one
CID 116618364
1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one
CID 65338865

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one?
The IUPAC name of 1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one (CID 103057009) is 1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one is Nc1cnc(Cn2cccnc2=O)cn1.
What is the InChIKey of 1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one?
The InChIKey is BFLXTSIIJIJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-8-5-12-7(4-13-8)6-14-3-1-2-11-9(14)15/h1-5H,6H2,(H2,10,13).
What are the key properties of 1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one?
1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one has a molecular weight of 203.21 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 103057009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).