N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide

C19H25N5O — CID 91969300

IUPACN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2N(C)C)c(C)c1
InChIInChI=1S/C19H25N5O/c1-13-7-8-15(14(2)11-13)18(25)21-16-12-20-19(22-17(16)23(3)4)24-9-5-6-10-24/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,25)
InChIKeyUCXYIHGWYHYPGH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.01
Rot. Bonds4

About N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide

N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide (PubChem CID 91969300) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
PubChem CID91969300
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2N(C)C)c(C)c1
InChIInChI=1S/C19H25N5O/c1-13-7-8-15(14(2)11-13)18(25)21-16-12-20-19(22-17(16)23(3)4)24-9-5-6-10-24/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,25)
InChIKeyUCXYIHGWYHYPGH-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide?
The IUPAC name of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide (CID 91969300) is N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2N(C)C)c(C)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide?
The InChIKey is UCXYIHGWYHYPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-7-8-15(14(2)11-13)18(25)21-16-12-20-19(22-17(16)23(3)4)24-9-5-6-10-24/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,21,25).
What are the key properties of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide?
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 91969300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).