3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one

C18H26N6O2 — CID 167791434

IUPAC3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCO[C@@H]1C[C@H](CNc2nccn(CC(C)C)c2=O)N(c2ccncn2)C1
InChIInChI=1S/C18H26N6O2/c1-13(2)10-23-7-6-20-17(18(23)25)21-9-14-8-15(26-3)11-24(14)16-4-5-19-12-22-16/h4-7,12-15H,8-11H2,1-3H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyLSMOADSTGFZMDR-HUUCEWRRSA-N
MW358.45 g/mol
LogP1.40
Rot. Bonds7

About 3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 167791434) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID167791434
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCO[C@@H]1C[C@H](CNc2nccn(CC(C)C)c2=O)N(c2ccncn2)C1
InChIInChI=1S/C18H26N6O2/c1-13(2)10-23-7-6-20-17(18(23)25)21-9-14-8-15(26-3)11-24(14)16-4-5-19-12-22-16/h4-7,12-15H,8-11H2,1-3H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyLSMOADSTGFZMDR-HUUCEWRRSA-N
XLogP1.40
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one
CID 167973639
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 167989412
[5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol
CID 154771906
6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile
CID 154788987
3-[(3-methoxy-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62929149
3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 64927091
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 79072318
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 104695867
3-[(3-chloro-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 65037499
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 167791434) is 3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one is CO[C@@H]1C[C@H](CNc2nccn(CC(C)C)c2=O)N(c2ccncn2)C1.
What is the InChIKey of 3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is LSMOADSTGFZMDR-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13(2)10-23-7-6-20-17(18(23)25)21-9-14-8-15(26-3)11-24(14)16-4-5-19-12-22-16/h4-7,12-15H,8-11H2,1-3H3,(H,20,21)/t14-,15-/m1/s1.
What are the key properties of 3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 358.45 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 167791434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).