2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine

C24H45N5 — CID 155421036

IUPAC2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine
SMILESCC(C)(CN1C=CNC(C(C)(C)CC2CCC(C(C)(C)C)N2)C1)C1=CNCNC1
InChIInChI=1S/C24H45N5/c1-22(2,3)20-9-8-19(28-20)12-23(4,5)21-15-29(11-10-27-21)16-24(6,7)18-13-25-17-26-14-18/h10-11,13,19-21,25-28H,8-9,12,14-17H2,1-7H3
InChIKeyKJYIGRPXAYCFFV-UHFFFAOYSA-N
MW403.66 g/mol
LogP3.37
Rot. Bonds6

About 2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine

2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine (PubChem CID 155421036) has the molecular formula C24H45N5 and a molecular weight of 403.66 g/mol. Its IUPAC name is 2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine.

Molecular Properties

Compound Name2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine
PubChem CID155421036
Molecular FormulaC24H45N5
Molecular Weight403.66 g/mol
Exact Mass403.37
IUPAC Name2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine
SMILESCC(C)(CN1C=CNC(C(C)(C)CC2CCC(C(C)(C)C)N2)C1)C1=CNCNC1
InChIInChI=1S/C24H45N5/c1-22(2,3)20-9-8-19(28-20)12-23(4,5)21-15-29(11-10-27-21)16-24(6,7)18-13-25-17-26-14-18/h10-11,13,19-21,25-28H,8-9,12,14-17H2,1-7H3
InChIKeyKJYIGRPXAYCFFV-UHFFFAOYSA-N
XLogP3.37
TPSA51.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.66
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine?
The IUPAC name of 2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine (CID 155421036) is 2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine.
What is the SMILES notation for 2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine?
The canonical SMILES for 2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine is CC(C)(CN1C=CNC(C(C)(C)CC2CCC(C(C)(C)C)N2)C1)C1=CNCNC1.
What is the InChIKey of 2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine?
The InChIKey is KJYIGRPXAYCFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N5/c1-22(2,3)20-9-8-19(28-20)12-23(4,5)21-15-29(11-10-27-21)16-24(6,7)18-13-25-17-26-14-18/h10-11,13,19-21,25-28H,8-9,12,14-17H2,1-7H3.
What are the key properties of 2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine?
2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine has a molecular weight of 403.66 g/mol, XLogP of 3.37, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-tert-butylpyrrolidin-2-yl)-2-methylpropan-2-yl]-4-[2-methyl-2-(1,2,3,4-tetrahydropyrimidin-5-yl)propyl]-2,3-dihydro-1H-pyrazine is sourced from PubChem (CID 155421036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).