[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone

C18H24N6O — CID 118740256

IUPAC[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1cc(N(C)C)nc(C2(C)CCCN2C(=O)c2cncnc2C)n1
InChIInChI=1S/C18H24N6O/c1-12-9-15(23(4)5)22-17(21-12)18(3)7-6-8-24(18)16(25)14-10-19-11-20-13(14)2/h9-11H,6-8H2,1-5H3
InChIKeyRGQXXQIKOCNBSU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.10
Rot. Bonds3

About [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone

[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone (PubChem CID 118740256) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
PubChem CID118740256
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1cc(N(C)C)nc(C2(C)CCCN2C(=O)c2cncnc2C)n1
InChIInChI=1S/C18H24N6O/c1-12-9-15(23(4)5)22-17(21-12)18(3)7-6-8-24(18)16(25)14-10-19-11-20-13(14)2/h9-11H,6-8H2,1-5H3
InChIKeyRGQXXQIKOCNBSU-UHFFFAOYSA-N
XLogP2.10
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.10
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]-(4-methylpyrimidin-5-yl)methanone?
The IUPAC name of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone (CID 118740256) is [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone is Cc1cc(N(C)C)nc(C2(C)CCCN2C(=O)c2cncnc2C)n1.
What is the InChIKey of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The InChIKey is RGQXXQIKOCNBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-9-15(23(4)5)22-17(21-12)18(3)7-6-8-24(18)16(25)14-10-19-11-20-13(14)2/h9-11H,6-8H2,1-5H3.
What are the key properties of [2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
[2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.10, 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]-(4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 118740256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).