[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C17H24N6O — CID 110272191

IUPAC[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1cc(N(C)C)nc(C2(C)CCCN2C(=O)c2ccn(C)n2)n1
InChIInChI=1S/C17H24N6O/c1-12-11-14(21(3)4)19-16(18-12)17(2)8-6-9-23(17)15(24)13-7-10-22(5)20-13/h7,10-11H,6,8-9H2,1-5H3
InChIKeyTUUNIJDXEWQCJQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.74
Rot. Bonds3

About [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 110272191) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID110272191
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1cc(N(C)C)nc(C2(C)CCCN2C(=O)c2ccn(C)n2)n1
InChIInChI=1S/C17H24N6O/c1-12-11-14(21(3)4)19-16(18-12)17(2)8-6-9-23(17)15(24)13-7-10-22(5)20-13/h7,10-11H,6,8-9H2,1-5H3
InChIKeyTUUNIJDXEWQCJQ-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.74
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]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 110272191) is [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cc1cc(N(C)C)nc(C2(C)CCCN2C(=O)c2ccn(C)n2)n1.
What is the InChIKey of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is TUUNIJDXEWQCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-11-14(21(3)4)19-16(18-12)17(2)8-6-9-23(17)15(24)13-7-10-22(5)20-13/h7,10-11H,6,8-9H2,1-5H3.
What are the key properties of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.74, 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]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110272191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).