(5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone

C14H21ClN4O — CID 71927728

IUPAC(5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
SMILESCCC1CN(C(=O)c2nc(C)ncc2Cl)CC1N(C)C
InChIInChI=1S/C14H21ClN4O/c1-5-10-7-19(8-12(10)18(3)4)14(20)13-11(15)6-16-9(2)17-13/h6,10,12H,5,7-8H2,1-4H3
InChIKeyBZQMGPDBQLHRLG-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.85
Rot. Bonds3

About (5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone

(5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone (PubChem CID 71927728) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is (5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
PubChem CID71927728
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name(5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
SMILESCCC1CN(C(=O)c2nc(C)ncc2Cl)CC1N(C)C
InChIInChI=1S/C14H21ClN4O/c1-5-10-7-19(8-12(10)18(3)4)14(20)13-11(15)6-16-9(2)17-13/h6,10,12H,5,7-8H2,1-4H3
InChIKeyBZQMGPDBQLHRLG-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone (CID 71927728) is (5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone is CCC1CN(C(=O)c2nc(C)ncc2Cl)CC1N(C)C.
What is the InChIKey of (5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone?
The InChIKey is BZQMGPDBQLHRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-5-10-7-19(8-12(10)18(3)4)14(20)13-11(15)6-16-9(2)17-13/h6,10,12H,5,7-8H2,1-4H3.
What are the key properties of (5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone?
(5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone has a molecular weight of 296.80 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 71927728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).