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

C12H13FN4 — CID 163347877

IUPAC4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESFCC1CCN(c2ncnc3cnccc23)C1
InChIInChI=1S/C12H13FN4/c13-5-9-2-4-17(7-9)12-10-1-3-14-6-11(10)15-8-16-12/h1,3,6,8-9H,2,4-5,7H2
InChIKeyXHIYTRBKIMEIPH-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.82
Rot. Bonds2

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

4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 163347877) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID163347877
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESFCC1CCN(c2ncnc3cnccc23)C1
InChIInChI=1S/C12H13FN4/c13-5-9-2-4-17(7-9)12-10-1-3-14-6-11(10)15-8-16-12/h1,3,6,8-9H,2,4-5,7H2
InChIKeyXHIYTRBKIMEIPH-UHFFFAOYSA-N
XLogP1.82
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 171324328
4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163348985
N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 166600895
4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
CID 114800924
5-pyrido[3,4-d]pyrimidin-4-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 166602383
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
5-bromo-N-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-2-amine
CID 171328908
2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide
CID 163356401
4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163345001
morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone
CID 163354113
4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one
CID 171326741
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126945134

Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine (CID 163347877) is 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine is FCC1CCN(c2ncnc3cnccc23)C1.
What is the InChIKey of 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is XHIYTRBKIMEIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c13-5-9-2-4-17(7-9)12-10-1-3-14-6-11(10)15-8-16-12/h1,3,6,8-9H,2,4-5,7H2.
What are the key properties of 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine?
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 232.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 163347877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).