[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone

C17H22N6O — CID 110272181

IUPAC[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(N(C)C)nc(C2(C)CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C17H22N6O/c1-12-10-14(22(3)4)21-16(20-12)17(2)6-5-9-23(17)15(24)13-11-18-7-8-19-13/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyVHXZPTWNYYOHAN-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.79
Rot. Bonds3

About [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone

[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 110272181) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID110272181
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(N(C)C)nc(C2(C)CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C17H22N6O/c1-12-10-14(22(3)4)21-16(20-12)17(2)6-5-9-23(17)15(24)13-11-18-7-8-19-13/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyVHXZPTWNYYOHAN-UHFFFAOYSA-N
XLogP1.79
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 110272181) is [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone is Cc1cc(N(C)C)nc(C2(C)CCCN2C(=O)c2cnccn2)n1.
What is the InChIKey of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is VHXZPTWNYYOHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-10-14(22(3)4)21-16(20-12)17(2)6-5-9-23(17)15(24)13-11-18-7-8-19-13/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110272181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).