4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine

C11H10F2N4 — CID 163348985

IUPAC4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
SMILESFC1(F)CCN(c2ncnc3cnccc23)C1
InChIInChI=1S/C11H10F2N4/c12-11(13)2-4-17(6-11)10-8-1-3-14-5-9(8)15-7-16-10/h1,3,5,7H,2,4,6H2
InChIKeyWGSMLUDEXCSKRN-UHFFFAOYSA-N
MW236.22 g/mol
LogP1.87
Rot. Bonds1

About 4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine

4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine (PubChem CID 163348985) has the molecular formula C11H10F2N4 and a molecular weight of 236.22 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
PubChem CID163348985
Molecular FormulaC11H10F2N4
Molecular Weight236.22 g/mol
Exact Mass236.09
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
SMILESFC1(F)CCN(c2ncnc3cnccc23)C1
InChIInChI=1S/C11H10F2N4/c12-11(13)2-4-17(6-11)10-8-1-3-14-5-9(8)15-7-16-10/h1,3,5,7H,2,4,6H2
InChIKeyWGSMLUDEXCSKRN-UHFFFAOYSA-N
XLogP1.87
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
CID 136520741
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163347877
4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one
CID 171326741
5-pyrido[3,4-d]pyrimidin-4-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 166602383
4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 146074600
4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrido[3,4-d]pyrimidine
CID 165433317
2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)-1,3-benzothiazole
CID 155975559
morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone
CID 163354113
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126945134
2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 171334425
4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine
CID 22086821
3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 86810762

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine (CID 163348985) is 4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine is FC1(F)CCN(c2ncnc3cnccc23)C1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
The InChIKey is WGSMLUDEXCSKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c12-11(13)2-4-17(6-11)10-8-1-3-14-5-9(8)15-7-16-10/h1,3,5,7H,2,4,6H2.
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine has a molecular weight of 236.22 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 163348985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).