N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine

C23H20FN5O — CID 118982639

IUPACN-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine
SMILESC[C@H](CNc1cc(-c2cc(F)c3ncccc3c2)ncn1)c1ccnc2c1OCC2
InChIInChI=1S/C23H20FN5O/c1-14(17-4-7-25-19-5-8-30-23(17)19)12-27-21-11-20(28-13-29-21)16-9-15-3-2-6-26-22(15)18(24)10-16/h2-4,6-7,9-11,13-14H,5,8,12H2,1H3,(H,27,28,29)/t14-/m1/s1
InChIKeyRQUWASRBAMIMDX-CQSZACIVSA-N
MW401.45 g/mol
LogP4.38
Rot. Bonds5

About N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine

N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine (PubChem CID 118982639) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine
PubChem CID118982639
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine
SMILESC[C@H](CNc1cc(-c2cc(F)c3ncccc3c2)ncn1)c1ccnc2c1OCC2
InChIInChI=1S/C23H20FN5O/c1-14(17-4-7-25-19-5-8-30-23(17)19)12-27-21-11-20(28-13-29-21)16-9-15-3-2-6-26-22(15)18(24)10-16/h2-4,6-7,9-11,13-14H,5,8,12H2,1H3,(H,27,28,29)/t14-/m1/s1
InChIKeyRQUWASRBAMIMDX-CQSZACIVSA-N
XLogP4.38
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine?
The IUPAC name of N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine (CID 118982639) is N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine is C[C@H](CNc1cc(-c2cc(F)c3ncccc3c2)ncn1)c1ccnc2c1OCC2.
What is the InChIKey of N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine?
The InChIKey is RQUWASRBAMIMDX-CQSZACIVSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-14(17-4-7-25-19-5-8-30-23(17)19)12-27-21-11-20(28-13-29-21)16-9-15-3-2-6-26-22(15)18(24)10-16/h2-4,6-7,9-11,13-14H,5,8,12H2,1H3,(H,27,28,29)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine?
N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine has a molecular weight of 401.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine is sourced from PubChem (CID 118982639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).