(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone

C18H23N5O — CID 127245522

IUPAC(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1cc(C)nc(C2(C)CCCN2C(=O)c2cnc(C)nc2C)n1
InChIInChI=1S/C18H23N5O/c1-11-9-12(2)21-17(20-11)18(5)7-6-8-23(18)16(24)15-10-19-14(4)22-13(15)3/h9-10H,6-8H2,1-5H3
InChIKeyLUCXHZZXXGYZRW-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.65
Rot. Bonds2

About (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 127245522) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
PubChem CID127245522
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1cc(C)nc(C2(C)CCCN2C(=O)c2cnc(C)nc2C)n1
InChIInChI=1S/C18H23N5O/c1-11-9-12(2)21-17(20-11)18(5)7-6-8-23(18)16(24)15-10-19-14(4)22-13(15)3/h9-10H,6-8H2,1-5H3
InChIKeyLUCXHZZXXGYZRW-UHFFFAOYSA-N
XLogP2.65
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone (CID 127245522) is (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone is Cc1cc(C)nc(C2(C)CCCN2C(=O)c2cnc(C)nc2C)n1.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is LUCXHZZXXGYZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-11-9-12(2)21-17(20-11)18(5)7-6-8-23(18)16(24)15-10-19-14(4)22-13(15)3/h9-10H,6-8H2,1-5H3.
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 127245522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).