(3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone

C17H25F2N5O — CID 146101292

IUPAC(3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone
SMILESCc1nc(C(=O)N2CCC(F)(F)C2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C17H25F2N5O/c1-11-12(2)20-14(16(25)24-8-6-17(18,19)10-24)21-15(11)23-7-5-13(9-23)22(3)4/h13H,5-10H2,1-4H3/t13-/m1/s1
InChIKeyYYXTVMLZOFIXEZ-CYBMUJFWSA-N
MW353.42 g/mol
LogP1.71
Rot. Bonds3

About (3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone

(3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone (PubChem CID 146101292) has the molecular formula C17H25F2N5O and a molecular weight of 353.42 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone
PubChem CID146101292
Molecular FormulaC17H25F2N5O
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone
SMILESCc1nc(C(=O)N2CCC(F)(F)C2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C17H25F2N5O/c1-11-12(2)20-14(16(25)24-8-6-17(18,19)10-24)21-15(11)23-7-5-13(9-23)22(3)4/h13H,5-10H2,1-4H3/t13-/m1/s1
InChIKeyYYXTVMLZOFIXEZ-CYBMUJFWSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone (CID 146101292) is (3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone is Cc1nc(C(=O)N2CCC(F)(F)C2)nc(N2CC[C@@H](N(C)C)C2)c1C.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone?
The InChIKey is YYXTVMLZOFIXEZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25F2N5O/c1-11-12(2)20-14(16(25)24-8-6-17(18,19)10-24)21-15(11)23-7-5-13(9-23)22(3)4/h13H,5-10H2,1-4H3/t13-/m1/s1.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone?
(3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]methanone is sourced from PubChem (CID 146101292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).