5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one

C10H15N5O — CID 80837512

IUPAC5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCNc1cncc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C10H15N5O/c1-11-8-5-12-6-9(15-8)13-4-7-2-3-10(16)14-7/h5-7H,2-4H2,1H3,(H,14,16)(H2,11,13,15)
InChIKeyLKOGRSMZSBONIY-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.21
Rot. Bonds4

About 5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one

5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 80837512) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
PubChem CID80837512
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCNc1cncc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C10H15N5O/c1-11-8-5-12-6-9(15-8)13-4-7-2-3-10(16)14-7/h5-7H,2-4H2,1H3,(H,14,16)(H2,11,13,15)
InChIKeyLKOGRSMZSBONIY-UHFFFAOYSA-N
XLogP0.21
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80836843
6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80791828
5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80942891
5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80836952
5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 113401871
5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328237
(5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 39781719
5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 79073907
5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 107529033
5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one
CID 114448549
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612
5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 112691898

Frequently Asked Questions

What is the IUPAC name of 5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one (CID 80837512) is 5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one is CNc1cncc(NCC2CCC(=O)N2)n1.
What is the InChIKey of 5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is LKOGRSMZSBONIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-11-8-5-12-6-9(15-8)13-4-7-2-3-10(16)14-7/h5-7H,2-4H2,1H3,(H,14,16)(H2,11,13,15).
What are the key properties of 5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one?
5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80837512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).