4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H21FN4 — CID 129427639

IUPAC4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2ncnc(N3CCC[C@H]3c3ccc(F)cc3)c2C1
InChIInChI=1S/C18H21FN4/c1-22-10-8-16-15(11-22)18(21-12-20-16)23-9-2-3-17(23)13-4-6-14(19)7-5-13/h4-7,12,17H,2-3,8-11H2,1H3/t17-/m0/s1
InChIKeyZTDQHCYWWLVHQY-KRWDZBQOSA-N
MW312.39 g/mol
LogP2.95
Rot. Bonds2

About 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 129427639) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID129427639
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Name4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2ncnc(N3CCC[C@H]3c3ccc(F)cc3)c2C1
InChIInChI=1S/C18H21FN4/c1-22-10-8-16-15(11-22)18(21-12-20-16)23-9-2-3-17(23)13-4-6-14(19)7-5-13/h4-7,12,17H,2-3,8-11H2,1H3/t17-/m0/s1
InChIKeyZTDQHCYWWLVHQY-KRWDZBQOSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 129427639) is 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CN1CCc2ncnc(N3CCC[C@H]3c3ccc(F)cc3)c2C1.
What is the InChIKey of 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZTDQHCYWWLVHQY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21FN4/c1-22-10-8-16-15(11-22)18(21-12-20-16)23-9-2-3-17(23)13-4-6-14(19)7-5-13/h4-7,12,17H,2-3,8-11H2,1H3/t17-/m0/s1.
What are the key properties of 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 312.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 129427639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).